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

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(5-methoxypyrimidin-2-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(5-methoxypyrimidin-2-yl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(5-methoxy-2-pyrimidinyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(5-methoxypyrimidin-2-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-3-(5-methoxypyrimidin-2-yl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16ClN5O3S MolecularWeight: 453.90144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

COC1=CN=C(N=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C21H16ClN5O3S/c1-30-15-10-24-20(25-11-15)27-19(29)16-7-4-13(8-17(16)26-21(27)31)18(28)23-9-12-2-5-14(22)6-3-12/h2-8,10-11H,9H2,1H3,(H,23,28)(H,26,31)