N-(4-tert-butylphenyl)-2-[5-(5-methylfuran-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[5-(5-methylfuran-2-yl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-allyl-5-(5-methyl-2-furyl)-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-tert-butylphenyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[5-(5-methyl-2-furanyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[5-(5-methylfuran-2-yl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-allyl-4-keto-5-(5-methyl-2-furyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-tert-butylphenyl)acetamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)C(C)(C)C)CC=C

Isomeric SMILES

CC1=CC=C(O1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC=C(C=C4)C(C)(C)C)CC=C

InChI

InChI=1S/C26H27N3O3S2/c1-6-13-29-24(31)22-19(20-12-7-16(2)32-20)14-33-23(22)28-25(29)34-15-21(30)27-18-10-8-17(9-11-18)26(3,4)5/h6-12,14H,1,13,15H2,2-5H3,(H,27,30)