cyclohexyl 3-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: cyclohexyl 3-[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 3-[2-[4-(dimethylamino)anilino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 3-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-[4-(dimethylamino)anilino]-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)N(C)C)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)N(C)C)C(=O)OC4CCCCC4

InChI

InChI=1S/C24H28N4O4S/c1-15-20-22(33-21(15)24(31)32-18-7-5-4-6-8-18)25-14-28(23(20)30)13-19(29)26-16-9-11-17(12-10-16)27(2)3/h9-12,14,18H,4-8,13H2,1-3H3,(H,26,29)