3-methyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-N-(3-methyl-4-pyrrolidin-1-ylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-(3-methyl-4-pyrrolidino-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)N4CCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-13-11-15(6-8-18(13)25-9-3-4-10-25)22-19(26)14-5-7-16-17(12-14)23-21(28)24(2)20(16)27/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,28)