3-cyclohexyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclohexyl-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C21H22N4O2S/c26-19(23-13-14-5-4-10-22-12-14)15-8-9-17-18(11-15)24-21(28)25(20(17)27)16-6-2-1-3-7-16/h4-5,8-12,16H,1-3,6-7,13H2,(H,23,26)(H,24,28)