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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-3-(pyridin-2-ylamino)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-(2-pyridylamino)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-(2-pyridinylamino)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-oxo-3-(pyridin-2-ylamino)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-3-(2-pyridylamino)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16ClN5O2S MolecularWeight: 437.90204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

Isomeric SMILES

C1=CC=NC(=C1)NN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl)NC2=S

InChI

InChI=1S/C21H16ClN5O2S/c22-15-7-4-13(5-8-15)12-24-19(28)14-6-9-16-17(11-14)25-21(30)27(20(16)29)26-18-3-1-2-10-23-18/h1-11H,12H2,(H,23,26)(H,24,28)(H,25,30)