(2R)-2-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-[(1S)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-[(2S)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-keto-3-[(1S)-1-methylpropyl]quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C18H20N4OS/c1-3-13(2)22-17(23)15-8-4-5-9-16(15)21-18(22)24-12-14(11-20)7-6-10-19/h4-5,8-9,13-14H,3,6-7,12H2,1-2H3/t13-,14+/m0/s1