N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C28H31N3O2S2 MolecularWeight: 505.69464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SCC(=O)NC45CC6CC(C4)CC(C6)C5)CC=C

InChI

InChI=1S/C28H31N3O2S2/c1-3-8-31-26(33)24-22(21-6-4-17(2)5-7-21)15-34-25(24)29-27(31)35-16-23(32)30-28-12-18-9-19(13-28)11-20(10-18)14-28/h3-7,15,18-20H,1,8-14,16H2,2H3,(H,30,32)