N-cyclooctyl-2-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclooctyl-2-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclooctyl-2-[6-ethyl-5-methyl-4-oxo-3-(p-tolylmethyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cyclooctyl-2-[[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-cyclooctyl-2-[6-ethyl-5-methyl-3-[(4-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-cyclooctyl-2-[[6-ethyl-4-keto-5-methyl-3-(4-methylbenzyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H35N3O2S2 MolecularWeight: 497.7157

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC(=O)NC4CCCCCCC4)C

Isomeric SMILES

CCC1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=C(C=C3)C)SCC(=O)NC4CCCCCCC4)C

InChI

InChI=1S/C27H35N3O2S2/c1-4-22-19(3)24-25(34-22)29-27(30(26(24)32)16-20-14-12-18(2)13-15-20)33-17-23(31)28-21-10-8-6-5-7-9-11-21/h12-15,21H,4-11,16-17H2,1-3H3,(H,28,31)