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

Systemtic Name: 3-[[5,6-dimethyl-3-(2-methylpropyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-isobutyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[[5,6-dimethyl-3-(2-methylpropyl)-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[5,6-dimethyl-3-(2-methylpropyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-isobutyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC(=C3)C#N)CC(C)C)C

InChI

InChI=1S/C20H21N3OS2/c1-12(2)10-23-19(24)17-13(3)14(4)26-18(17)22-20(23)25-11-16-7-5-6-15(8-16)9-21/h5-8,12H,10-11H2,1-4H3