(2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide

Systemtic Name: (2R)-2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Openeye Name: (2R)-2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C23H29ClN4O2S MolecularWeight: 461.01996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCC(C)C

InChI

InChI=1S/C23H29ClN4O2S/c1-15(2)9-12-28-21(30)18-8-7-17(24)13-19(18)26-22(28)31-16(3)20(29)27-23(14-25)10-5-4-6-11-23/h7-8,13,15-16H,4-6,9-12H2,1-3H3,(H,27,29)/t16-/m1/s1