2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-(3-pyridylmethyl)butyramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H22N4O2S/c1-2-18(19(26)23-13-14-6-5-11-22-12-14)28-21-24-17-8-4-3-7-16(17)20(27)25(21)15-9-10-15/h3-8,11-12,15,18H,2,9-10,13H2,1H3,(H,23,26)