N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxypyrimidin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxypyrimidin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxypyrimidin-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxy-2-pyrimidinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxypyrimidin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-3-(4,5-dimethoxypyrimidin-2-yl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H18ClN5O4S MolecularWeight: 483.92742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

COC1=CN=C(N=C1OC)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C22H18ClN5O4S/c1-31-17-11-25-21(27-19(17)32-2)28-20(30)15-8-5-13(9-16(15)26-22(28)33)18(29)24-10-12-3-6-14(23)7-4-12/h3-9,11H,10H2,1-2H3,(H,24,29)(H,26,33)