N-(2-methoxy-5-methyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-isopentyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[3-(3-methylbutyl)-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[3-(3-methylbutyl)-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-isoamyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C25H27N3O3S3 MolecularWeight: 513.69518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2CCC(C)C

InChI

InChI=1S/C25H27N3O3S3/c1-15(2)9-10-28-24(30)22-17(20-6-5-11-32-20)13-33-23(22)27-25(28)34-14-21(29)26-18-12-16(3)7-8-19(18)31-4/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,29)