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

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C17H17N5O2S/c1-22(2)14-11(4-3-7-18-14)9-19-15(23)10-5-6-12-13(8-10)20-17(25)21-16(12)24/h3-8H,9H2,1-2H3,(H,19,23)(H2,20,21,24,25)