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

Systemtic Name: cyclohexyl 5-methyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: cyclohexyl 5-methyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(3-phenylpropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-methyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid cyclohexyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCC3=CC=CC=C3)C(=O)OC4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCC3=CC=CC=C3)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-16-19-21(29-20(16)23(27)28-18-12-6-3-7-13-18)24-15-25(22(19)26)14-8-11-17-9-4-2-5-10-17/h2,4-5,9-10,15,18H,3,6-8,11-14H2,1H3