N-(2,3-dimethylcyclohexyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

InChI

InChI=1S/C25H30N4O2S/c1-15-12-13-22(26-14-15)29-24(31)19-9-5-6-10-21(19)28-25(29)32-18(4)23(30)27-20-11-7-8-16(2)17(20)3/h5-6,9-10,12-14,16-18,20H,7-8,11H2,1-4H3,(H,27,30)