2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide

Systemtic Name: 2-(3-butyl-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 2-(3-butyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-N-(m-tolyl)butanamide CAS Name: 2-[[3-butyl-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 2-[(3-butyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-(m-tolyl)butyramide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NC4=CC=CC(=C4)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CC(=C2)N3CCOCC3)N=C1SC(CC)C(=O)NC4=CC=CC(=C4)C

InChI

InChI=1S/C27H34N4O3S/c1-4-6-12-31-26(33)22-18-21(30-13-15-34-16-14-30)10-11-23(22)29-27(31)35-24(5-2)25(32)28-20-9-7-8-19(3)17-20/h7-11,17-18,24H,4-6,12-16H2,1-3H3,(H,28,32)