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

Systemtic Name: 3-cyclopentyl-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-cyclopentyl-4-oxo-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-cyclopentyl-4-oxo-N-(2-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-cyclopentyl-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-cyclopentyl-4-keto-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S

InChI

InChI=1S/C20H20N4O2S/c25-18(22-12-14-5-3-4-10-21-14)13-8-9-16-17(11-13)23-20(27)24(19(16)26)15-6-1-2-7-15/h3-5,8-11,15H,1-2,6-7,12H2,(H,22,25)(H,23,27)