(2R)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: (2R)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2R)-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-cyanocyclohexyl)propionamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C25H25ClN4O2S/c1-16-19(26)10-8-12-21(16)30-23(32)18-9-4-5-11-20(18)28-24(30)33-17(2)22(31)29-25(15-27)13-6-3-7-14-25/h4-5,8-12,17H,3,6-7,13-14H2,1-2H3,(H,29,31)/t17-/m1/s1