(2R)-2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(7-chloro-3-cyclohexyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(CCC#N)C#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C20H21ClN4OS/c21-15-8-9-17-18(11-15)24-20(27-13-14(12-23)5-4-10-22)25(19(17)26)16-6-2-1-3-7-16/h8-9,11,14,16H,1-7,13H2/t14-/m1/s1