4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride

C106H99Cl5N42O12 — CID 158678069

IUPAC4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride
SMILESCc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H22N8O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H4ClNO3.C5H6ClN3.C5H5N3O2.2ClH/c1-16-14-24(34-26(27)30-16)33-23-11-10-19(15-29-23)32-25(35)17-6-8-18(9-7-17)31-22-12-13-28-21-5-3-2-4-20(21)22;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;8-7(10)5-1-3-6(4-2-5)9(11)12;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-15H,1H3,(H,28,31)(H,32,35)(H3,27,29,30,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;1-4H;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H
InChIKeyRLOXXKBPOREKAF-UHFFFAOYSA-N
MW2330.50 g/mol
LogP19.86
Rot. Bonds23

About 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride

4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride (PubChem CID 158678069) has the molecular formula C106H99Cl5N42O12 and a molecular weight of 2330.50 g/mol. Its IUPAC name is 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride
PubChem CID158678069
Molecular FormulaC106H99Cl5N42O12
Molecular Weight2330.50 g/mol
Exact Mass2326.69
IUPAC Name4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride
SMILESCc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H22N8O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H4ClNO3.C5H6ClN3.C5H5N3O2.2ClH/c1-16-14-24(34-26(27)30-16)33-23-11-10-19(15-29-23)32-25(35)17-6-8-18(9-7-17)31-22-12-13-28-21-5-3-2-4-20(21)22;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;8-7(10)5-1-3-6(4-2-5)9(11)12;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-15H,1H3,(H,28,31)(H,32,35)(H3,27,29,30,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;1-4H;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H
InChIKeyRLOXXKBPOREKAF-UHFFFAOYSA-N
XLogP19.86
TPSA841.09 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds23
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002330.50
LogP ≤ 519.86
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride with MolForge

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Related Compounds

CID 155527907
CID 155527907
CID 155540641
CID 155540641
3-N-[4-amino-2-(methylamino)pyrimidin-5-yl]-4-methyl-1-N-[2-methyl-3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide;azane;carbon monoxide;2-chloro-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;2,6-dimethylpyridine;3-iodo-4-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]benzamide;methanamine;methane;2-N-methyl-5-nitropyrimidine-2,4-diamine;2-N-methylpyrimidine-2,4,5-triamine;hydrate
CID 159380646
3-N-[4-amino-2-(methylamino)pyrimidin-5-yl]-4-methyl-1-N-[2-methyl-3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide;azane;carbon monoxide;2-chloro-5-nitropyrimidin-4-amine;2,4-dichloro-5-nitropyrimidine;2,6-dimethylpyridine;3-iodo-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;methanamine;methane;2-N-methyl-5-nitropyrimidine-2,4-diamine;2-N-methylpyrimidine-2,4,5-triamine;hydrate
CID 159567225
2-Chloro-N-{4-methyl-2-[4-(pyrimidin-2-YL)piperazin-1-YL]quinolin-6-YL}-4-nitrobenzamide
CID 3386226
N-[4-(2-Amino-6-methylpyrimidin-4-ylamino)phenyl]-4-(6-nitroquinolin-4-ylamino)benzamide hydrochloride
CID 24857961
N-[5-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-pyridinyl]-4-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 24859999
N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 24860003
4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-quinolin-3-ylbenzamide
CID 58716671
4-[(2,6-diaminopyrimidin-4-yl)amino]-N-[4-[(6-nitroquinolin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 67200499
4-[(2-Amino-6-methyl-4-pyrimidinyl)amino]-N-{4-[(6-nitro-4-quinolinyl)amino]phenyl}benzamide dihydrochloride
CID 67200784
4-[(2-Amino-6-methyl-4-pyrimidinyl)amino]-N-{4-[(7-nitro-4-quinolinyl)amino]phenyl}benzamide dihydrochloride
CID 67201439

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride?
The IUPAC name of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride (CID 158678069) is 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride.
What is the SMILES notation for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride?
The canonical SMILES for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride is Cc1cc(Cl)nc(N)n1.Cc1cc(Nc2ccc(N)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(N)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cn2)nc(N)n1.Cc1cc(Nc2ccc([N+](=O)[O-])cn2)nc(N)n1.Cl.Cl.Clc1ccnc2ccccc12.Nc1ccc([N+](=O)[O-])cn1.O=C(Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride?
The InChIKey is RLOXXKBPOREKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O.C17H15N7O3.C17H17N7O.C10H10N6O2.C10H12N6.C9H6ClN.C7H4ClNO3.C5H6ClN3.C5H5N3O2.2ClH/c1-16-14-24(34-26(27)30-16)33-23-11-10-19(15-29-23)32-25(35)17-6-8-18(9-7-17)31-22-12-13-28-21-5-3-2-4-20(21)22;1-10-8-15(23-17(18)20-10)22-14-7-4-12(9-19-14)21-16(25)11-2-5-13(6-3-11)24(26)27;1-10-8-15(24-17(19)21-10)23-14-7-6-13(9-20-14)22-16(25)11-2-4-12(18)5-3-11;1-6-4-9(15-10(11)13-6)14-8-3-2-7(5-12-8)16(17)18;1-6-4-9(16-10(12)14-6)15-8-3-2-7(11)5-13-8;10-8-5-6-11-9-4-2-1-3-7(8)9;8-7(10)5-1-3-6(4-2-5)9(11)12;1-3-2-4(6)9-5(7)8-3;6-5-2-1-4(3-7-5)8(9)10;;/h2-15H,1H3,(H,28,31)(H,32,35)(H3,27,29,30,33,34);2-9H,1H3,(H,21,25)(H3,18,19,20,22,23);2-9H,18H2,1H3,(H,22,25)(H3,19,20,21,23,24);2-5H,1H3,(H3,11,12,13,14,15);2-5H,11H2,1H3,(H3,12,13,14,15,16);1-6H;1-4H;2H,1H3,(H2,7,8,9);1-3H,(H2,6,7);2*1H.
What are the key properties of 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride?
4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride has a molecular weight of 2330.50 g/mol, XLogP of 19.86, 23 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]benzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-nitrobenzamide;N-[6-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-pyridinyl]-4-(quinolin-4-ylamino)benzamide;4-N-(5-amino-2-pyridinyl)-6-methylpyrimidine-2,4-diamine;4-chloro-6-methylpyrimidin-2-amine;4-chloroquinoline;6-methyl-4-N-(5-nitro-2-pyridinyl)pyrimidine-2,4-diamine;4-nitrobenzoyl chloride;5-nitropyridin-2-amine;dihydrochloride is sourced from PubChem (CID 158678069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).