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

Systemtic Name: 4-oxidanylidene-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[4-(pyrrolidinomethyl)benzyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H22N4O2S/c26-19(16-7-8-17-18(11-16)23-21(28)24-20(17)27)22-12-14-3-5-15(6-4-14)13-25-9-1-2-10-25/h3-8,11H,1-2,9-10,12-13H2,(H,22,26)(H2,23,24,27,28)