cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: cyclohexyl 2-[5-methyl-6-(o-tolylcarbamoyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-methyl-6-[(2-methylanilino)-oxomethyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid cyclohexyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)OC4CCCCC4)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)OC4CCCCC4)C

InChI

InChI=1S/C23H25N3O4S/c1-14-8-6-7-11-17(14)25-21(28)20-15(2)19-22(31-20)24-13-26(23(19)29)12-18(27)30-16-9-4-3-5-10-16/h6-8,11,13,16H,3-5,9-10,12H2,1-2H3,(H,25,28)