4-[5,6-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5,6-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Openeye Name: 4-(3-isobutyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[[5,6-dimethyl-3-(2-methylpropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[5,6-dimethyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylbutanenitrile Traditional Name: 4-[(3-isobutyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCCCC#N)CC(C)C)C

InChI

InChI=1S/C16H21N3OS2/c1-10(2)9-19-15(20)13-11(3)12(4)22-14(13)18-16(19)21-8-6-5-7-17/h10H,5-6,8-9H2,1-4H3