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

Systemtic Name: (2R)-2-[[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

COCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C17H18N4O2S/c1-23-10-9-21-16(22)14-6-2-3-7-15(14)20-17(21)24-12-13(11-19)5-4-8-18/h2-3,6-7,13H,4-5,9-10,12H2,1H3/t13-/m1/s1