4-oxidanylidene-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[(1-phenyl-3-pyrrolidinyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2S/c25-18(14-6-7-16-17(10-14)22-20(27)23-19(16)26)21-11-13-8-9-24(12-13)15-4-2-1-3-5-15/h1-7,10,13H,8-9,11-12H2,(H,21,25)(H2,22,23,26,27)