N-(2,3-dimethylcyclohexyl)-3-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-3-[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2,3-dimethylcyclohexyl)-3-[2-(2-methoxyanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2,3-dimethylcyclohexyl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-3-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2,3-dimethylcyclohexyl)-4-keto-3-[2-keto-2-(o-anisidino)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC=CC=C4OC)C

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC(=O)NC4=CC=CC=C4OC)C

InChI

InChI=1S/C25H30N4O4S/c1-14-8-7-10-17(15(14)2)28-23(31)22-16(3)21-24(34-22)26-13-29(25(21)32)12-20(30)27-18-9-5-6-11-19(18)33-4/h5-6,9,11,13-15,17H,7-8,10,12H2,1-4H3,(H,27,30)(H,28,31)