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

Systemtic Name: (2R)-2-[(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(CCC#N)C#N

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H17ClN4OS/c1-11(2)22-16(23)14-6-5-13(18)8-15(14)21-17(22)24-10-12(9-20)4-3-7-19/h5-6,8,11-12H,3-4,10H2,1-2H3/t12-/m1/s1