(4S,6R)-6-methyl-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide

Systemtic Name: (4S,6R)-6-methyl-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4S,6R)-6-methyl-N-[(8-methyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2-thioxo-hexahydropyrimidine-4-carboxamide CAS Name: (4S,6R)-6-methyl-N-[[8-methyl-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide IUPAC Name: (4S,6R)-6-methyl-N-[(8-methyl-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide Traditional Name: (4S,6R)-6-methyl-N-[(8-methyl-4-pyrrolidino-quinazolin-2-yl)methyl]-2-thioxo-hexahydropyrimidine-4-carboxamide Formula: C20H26N6OS MolecularWeight: 398.52504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(NC(=S)N1)C(=O)NCC2=NC3=C(C=CC=C3C)C(=N2)N4CCCC4

Isomeric SMILES

C[C@@H]1C[C@H](NC(=S)N1)C(=O)NCC2=NC3=C(C=CC=C3C)C(=N2)N4CCCC4

InChI

InChI=1S/C20H26N6OS/c1-12-6-5-7-14-17(12)24-16(25-18(14)26-8-3-4-9-26)11-21-19(27)15-10-13(2)22-20(28)23-15/h5-7,13,15H,3-4,8-11H2,1-2H3,(H,21,27)(H2,22,23,28)/t13-,15+/m1/s1