tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

C176H162F2N38O21S2 — CID 167563177

About tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne

tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (PubChem CID 167563177) has the molecular formula C176H162F2N38O21S2 and a molecular weight of 3247.61 g/mol. Its IUPAC name is tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

Molecular Properties

• Compound Name: tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
• PubChem CID: 167563177
• Molecular Formula: C176H162F2N38O21S2
• Molecular Weight: 3247.61 g/mol
• Exact Mass: 3245.22
• IUPAC Name: tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne
• SMILES: C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(=O)C1(OC)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC(=O)C1(OC)CCC(c2nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)cc3c(=O)n(Cc4ccc(OC)cc4)cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)O)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.S.S
• InChI: InChI=1S/C33H40N6O7.2C29H31FN10O3.C23H4.C22H2.C20H24N6O4.C19H22N6O4.CH4.2H2S/c1-20-16-26(37-39(20)31(42)46-32(2,3)4)35-25-17-24-28(27(36-25)22-12-14-33(45-7,15-13-22)30(41)44-6)34-19-38(29(24)40)18-21-8-10-23(43-5)11-9-21;2*1-16-10-23(39-38-16)36-22-11-21-26(32-15-33-27(21)41)25(37-22)18-6-8-29(43-3,9-7-18)28(42)35-17(2)19-4-5-24(31-12-19)40-14-20(30)13-34-40;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;1-11-8-15(26-25-11)23-14-9-13-17(21-10-22-18(13)27)16(24-14)12-4-6-20(30-3,7-5-12)19(28)29-2;1-10-7-14(25-24-10)22-13-8-12-16(20-9-21-17(12)26)15(23-13)11-3-5-19(29-2,6-4-11)18(27)28;;;/h8-11,16-17,19,22H,12-15,18H2,1-7H3,(H,35,36,37);2*4-5,10-15,17-18H,6-9H2,1-3H3,(H,35,42)(H,32,33,41)(H2,36,37,38,39);1H,2H3;1-2H;8-10,12H,4-7H2,1-3H3,(H,21,22,27)(H2,23,24,25,26);7-9,11H,3-6H2,1-2H3,(H,27,28)(H,20,21,26)(H2,22,23,24,25);1H4;2*1H2/t;2*17-,18?,29?;;;;;;;/m.00......./s1
• InChIKey: DXURLECADSHVFD-GYTGZYJFSA-N
• XLogP: 18.91
• TPSA: 766.23 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3247.61
LogP ≤ 5	18.91
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The IUPAC name of tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne (CID 167563177) is tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne.

What is the SMILES notation for tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The canonical SMILES for tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.COC(=O)C1(OC)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC(=O)C1(OC)CCC(c2nc(Nc3cc(C)n(C(=O)OC(C)(C)C)n3)cc3c(=O)n(Cc4ccc(OC)cc4)cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.COC1(C(=O)O)CCC(c2nc(Nc3cc(C)[nH]n3)cc3c(=O)[nH]cnc23)CC1.S.S.

What is the InChIKey of tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

The InChIKey is DXURLECADSHVFD-GYTGZYJFSA-N. The full InChI is InChI=1S/C33H40N6O7.2C29H31FN10O3.C23H4.C22H2.C20H24N6O4.C19H22N6O4.CH4.2H2S/c1-20-16-26(37-39(20)31(42)46-32(2,3)4)35-25-17-24-28(27(36-25)22-12-14-33(45-7,15-13-22)30(41)44-6)34-19-38(29(24)40)18-21-8-10-23(43-5)11-9-21;2*1-16-10-23(39-38-16)36-22-11-21-26(32-15-33-27(21)41)25(37-22)18-6-8-29(43-3,9-7-18)28(42)35-17(2)19-4-5-24(31-12-19)40-14-20(30)13-34-40;1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;1-11-8-15(26-25-11)23-14-9-13-17(21-10-22-18(13)27)16(24-14)12-4-6-20(30-3,7-5-12)19(28)29-2;1-10-7-14(25-24-10)22-13-8-12-16(20-9-21-17(12)26)15(23-13)11-3-5-19(29-2,6-4-11)18(27)28;;;/h8-11,16-17,19,22H,12-15,18H2,1-7H3,(H,35,36,37);2*4-5,10-15,17-18H,6-9H2,1-3H3,(H,35,42)(H,32,33,41)(H2,36,37,38,39);1H,2H3;1-2H;8-10,12H,4-7H2,1-3H3,(H,21,22,27)(H2,23,24,25,26);7-9,11H,3-6H2,1-2H3,(H,27,28)(H,20,21,26)(H2,22,23,24,25);1H4;2*1H2/t;2*17-,18?,29?;;;;;;;/m.00......./s1.

What are the key properties of tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne?

tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne has a molecular weight of 3247.61 g/mol, XLogP of 18.91, 34 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[[8-(4-methoxy-4-methoxycarbonylcyclohexyl)-3-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidin-6-yl]amino]-5-methylpyrazole-1-carboxylate;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;bis(N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxamide);methane;1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylic acid;methyl 1-methoxy-4-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl]cyclohexane-1-carboxylate;sulfane;tricosa-1,3,5,7,9,11,13,15,17,19,21-undecayne is sourced from PubChem (CID 167563177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).