2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: 2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: 2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-benzyl-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]butyramide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

InChI

InChI=1S/C25H24N4O2S/c1-3-21(23(30)27-16-18-9-5-4-6-10-18)32-25-28-20-12-8-7-11-19(20)24(31)29(25)22-15-17(2)13-14-26-22/h4-15,21H,3,16H2,1-2H3,(H,27,30)