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

Systemtic Name: propan-2-yl 5-methyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-13(2)25-20(24)17-14(3)16-18(26-17)21-12-22(19(16)23)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,12-13H,7,10-11H2,1-3H3