(2R)-2-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C18H19ClN4OS MolecularWeight: 374.88766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(CCC#N)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C18H19ClN4OS/c1-12(2)10-23-17(24)15-8-14(19)5-6-16(15)22-18(23)25-11-13(9-21)4-3-7-20/h5-6,8,12-13H,3-4,10-11H2,1-2H3/t13-/m1/s1