1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

C137H174N28O8S4 — CID 167591340

About 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane

1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (PubChem CID 167591340) has the molecular formula C137H174N28O8S4 and a molecular weight of 2469.35 g/mol. Its IUPAC name is 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

Molecular Properties

• Compound Name: 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• PubChem CID: 167591340
• Molecular Formula: C137H174N28O8S4
• Molecular Weight: 2469.35 g/mol
• Exact Mass: 2467.30
• IUPAC Name: 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane
• SMILES: S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CCC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@H]3CCC[C@@H]3N(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@H]3CCC[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C
• InChI: InChI=1S/C35H43N7O2.3C34H41N7O2.4H2S/c1-6-31(43)42-19-18-41(21-27(42)20-36-3)33-28-14-17-40(30-13-8-12-26-11-7-10-25(2)32(26)30)22-29(28)37-34(38-33)44-24-35(15-9-16-35)23-39(4)5;2*1-6-31(42)41-19-18-40(21-25(41)20-35-3)33-26-16-17-39(29-14-8-12-24-11-7-10-23(2)32(24)29)22-27(26)36-34(37-33)43-30-15-9-13-28(30)38(4)5;1-6-30(42)41-18-17-40(20-26(41)19-35-3)32-27-13-16-39(29-12-8-11-25-10-7-9-24(2)31(25)29)21-28(27)36-33(37-32)43-23-34(14-15-34)22-38(4)5;;;;/h6-8,10-13,27H,1,9,14-24H2,2,4-5H3;2*6-8,10-12,14,25,28,30H,1,9,13,15-22H2,2,4-5H3;6-12,26H,1,13-23H2,2,4-5H3;4*1H2/t27-;25-,28+,30-;25-,28-,30-;26-;;;;/m0000..../s1
• InChIKey: ILZOJRWDLLGTEK-DPASUKDPSA-N
• XLogP: 18.50
• TPSA: 277.60 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.35
LogP ≤ 5	18.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The IUPAC name of 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane (CID 167591340) is 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane.

What is the SMILES notation for 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The canonical SMILES for 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is S.S.S.S.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OCC3(CN(C)C)CCC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@H]3CCC[C@@H]3N(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(O[C@H]3CCC[C@H]3N(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)C=C.

What is the InChIKey of 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

The InChIKey is ILZOJRWDLLGTEK-DPASUKDPSA-N. The full InChI is InChI=1S/C35H43N7O2.3C34H41N7O2.4H2S/c1-6-31(43)42-19-18-41(21-27(42)20-36-3)33-28-14-17-40(30-13-8-12-26-11-7-10-25(2)32(26)30)22-29(28)37-34(38-33)44-24-35(15-9-16-35)23-39(4)5;2*1-6-31(42)41-19-18-40(21-25(41)20-35-3)33-26-16-17-39(29-14-8-12-24-11-7-10-23(2)32(24)29)22-27(26)36-34(37-33)43-30-15-9-13-28(30)38(4)5;1-6-30(42)41-18-17-40(20-26(41)19-35-3)32-27-13-16-39(29-12-8-11-25-10-7-9-24(2)31(25)29)21-28(27)36-33(37-32)43-23-34(14-15-34)22-38(4)5;;;;/h6-8,10-13,27H,1,9,14-24H2,2,4-5H3;2*6-8,10-12,14,25,28,30H,1,9,13,15-22H2,2,4-5H3;6-12,26H,1,13-23H2,2,4-5H3;4*1H2/t27-;25-,28+,30-;25-,28-,30-;26-;;;;/m0000..../s1.

What are the key properties of 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane?

1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane has a molecular weight of 2469.35 g/mol, XLogP of 18.50, 32 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-4-[2-[(1S,2S)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[(1S,2R)-2-(dimethylamino)cyclopentyl]oxy-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclobutyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-4-[2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;sulfane is sourced from PubChem (CID 167591340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).