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

Systemtic Name: (2R)-2-[[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C19H21ClN4OS MolecularWeight: 388.91424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(CCC#N)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C19H21ClN4OS/c1-13(2)7-9-24-18(25)16-6-5-15(20)10-17(16)23-19(24)26-12-14(11-22)4-3-8-21/h5-6,10,13-14H,3-4,7,9,12H2,1-2H3/t14-/m1/s1