N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC(C)(C#N)C(C)C)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC(C)(C#N)C(C)C)CC=C

InChI

InChI=1S/C25H28N4O2S2/c1-7-12-29-23(31)20-19(18-10-8-16(4)9-11-18)13-32-22(20)27-24(29)33-17(5)21(30)28-25(6,14-26)15(2)3/h7-11,13,15,17H,1,12H2,2-6H3,(H,28,30)