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

Systemtic Name: cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: cyclohexyl 2-[5-methyl-6-(o-tolylcarbamoyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-methyl-6-[(2-methylanilino)-oxomethyl]-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[5-methyl-6-[(2-methylphenyl)carbamoyl]-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-methyl-6-(o-tolylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid cyclohexyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-14-9-7-8-12-18(14)26-21(28)20-15(2)19-22(32-20)25-13-27(23(19)29)16(3)24(30)31-17-10-5-4-6-11-17/h7-9,12-13,16-17H,4-6,10-11H2,1-3H3,(H,26,28)