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

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-methyl-4-pyrrolidino-phenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C20H20N4O2S/c1-12-10-14(24-8-2-3-9-24)5-7-16(12)21-18(25)13-4-6-15-17(11-13)22-20(27)23-19(15)26/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,25)(H2,22,23,26,27)