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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C19H20N2O3S/c1-3-24-19(23)16-13(2)15-17(25-16)20-12-21(18(15)22)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12H,3,7,10-11H2,1-2H3