N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C19H21N5O2S MolecularWeight: 383.46734

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)CCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H21N5O2S/c1-23(2)17-13(6-5-10-20-17)12-21-16(25)9-11-24-18(26)14-7-3-4-8-15(14)22-19(24)27/h3-8,10H,9,11-12H2,1-2H3,(H,21,25)(H,22,27)