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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-3-pyrimidin-4-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-pyrimidin-4-yl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-(4-pyrimidinyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-pyrimidin-4-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-3-(4-pyrimidyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H14ClN5O2S MolecularWeight: 423.87546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=NC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=NC=NC=C4)Cl

InChI

InChI=1S/C20H14ClN5O2S/c21-14-4-1-12(2-5-14)10-23-18(27)13-3-6-15-16(9-13)25-20(29)26(19(15)28)17-7-8-22-11-24-17/h1-9,11H,10H2,(H,23,27)(H,25,29)