tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride

C126H152Cl5N23O13S5 — CID 167651226

About tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride

tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride (PubChem CID 167651226) has the molecular formula C126H152Cl5N23O13S5 and a molecular weight of 2534.35 g/mol. Its IUPAC name is tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride
• PubChem CID: 167651226
• Molecular Formula: C126H152Cl5N23O13S5
• Molecular Weight: 2534.35 g/mol
• Exact Mass: 2529.90
• IUPAC Name: tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride
• SMILES: C=CC(=O)O.CN(C)CCS.Cl.[C-]#[N+]C[C@@H]1CCCN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H39ClN6O3S.C30H33ClN6O2S.C29H32ClN5O5S.C28H32ClN5OS.C4H11NS.C3H4O2.ClH/c1-32(2,3)42-31(40)39-14-13-38(19-22(39)18-34-4)29-24-20-41-27(17-26(24)35-30(36-29)43-16-15-37(5)6)23-11-7-9-21-10-8-12-25(33)28(21)23;1-5-27(38)37-13-12-36(18-21(37)17-32-2)29-23-19-39-26(16-25(23)33-30(34-29)40-15-14-35(3)4)22-10-6-8-20-9-7-11-24(31)28(20)22;1-29(2,3)40-28(36)35-13-12-34(16-19(35)15-31-4)26-21-17-39-24(14-23(21)32-27(33-26)41(5,37)38)20-10-6-8-18-9-7-11-22(30)25(18)20;1-30-16-19-7-6-12-34(17-19)27-22-18-35-25(15-24(22)31-28(32-27)36-14-13-33(2)3)21-10-4-8-20-9-5-11-23(29)26(20)21;1-5(2)3-4-6;1-2-3(4)5;/h7-12,22,27H,13-20H2,1-3,5-6H3;5-11,21,26H,1,12-19H2,3-4H3;6-11,19,24H,12-17H2,1-3,5H3;4-5,8-11,19,25H,6-7,12-18H2,2-3H3;6H,3-4H2,1-2H3;2H,1H2,(H,4,5);1H/t22-,27-;21-,26-;19-,24-;19-,25-;;;/m0000.../s1
• InChIKey: VMYXKPRRYYEXGE-WKKDAGNBSA-N
• XLogP: 22.86
• TPSA: 334.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2534.35
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride?

The IUPAC name of tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride (CID 167651226) is tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride.

What is the SMILES notation for tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride?

The canonical SMILES for tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride is C=CC(=O)O.CN(C)CCS.Cl.[C-]#[N+]C[C@@H]1CCCN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(S(C)(=O)=O)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(SCCN(C)C)nc3c2CO[C@H](c2cccc4cccc(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride?

The InChIKey is VMYXKPRRYYEXGE-WKKDAGNBSA-N. The full InChI is InChI=1S/C32H39ClN6O3S.C30H33ClN6O2S.C29H32ClN5O5S.C28H32ClN5OS.C4H11NS.C3H4O2.ClH/c1-32(2,3)42-31(40)39-14-13-38(19-22(39)18-34-4)29-24-20-41-27(17-26(24)35-30(36-29)43-16-15-37(5)6)23-11-7-9-21-10-8-12-25(33)28(21)23;1-5-27(38)37-13-12-36(18-21(37)17-32-2)29-23-19-39-26(16-25(23)33-30(34-29)40-15-14-35(3)4)22-10-6-8-20-9-7-11-24(31)28(20)22;1-29(2,3)40-28(36)35-13-12-34(16-19(35)15-31-4)26-21-17-39-24(14-23(21)32-27(33-26)41(5,37)38)20-10-6-8-18-9-7-11-22(30)25(18)20;1-30-16-19-7-6-12-34(17-19)27-22-18-35-25(15-24(22)31-28(32-27)36-14-13-33(2)3)21-10-4-8-20-9-5-11-23(29)26(20)21;1-5(2)3-4-6;1-2-3(4)5;/h7-12,22,27H,13-20H2,1-3,5-6H3;5-11,21,26H,1,12-19H2,3-4H3;6-11,19,24H,12-17H2,1-3,5H3;4-5,8-11,19,25H,6-7,12-18H2,2-3H3;6H,3-4H2,1-2H3;2H,1H2,(H,4,5);1H/t22-,27-;21-,26-;19-,24-;19-,25-;;;/m0000.../s1.

What are the key properties of tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride?

tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride has a molecular weight of 2534.35 g/mol, XLogP of 22.86, 29 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-methylsulfonyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;1-[(2R)-4-[(7S)-7-(8-chloronaphthalen-1-yl)-2-[2-(dimethylamino)ethylsulfanyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;2-[[(7S)-7-(8-chloronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]sulfanyl]-N,N-dimethylethanamine;2-(dimethylamino)ethanethiol;prop-2-enoic acid;hydrochloride is sourced from PubChem (CID 167651226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).