2,5-dimethyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2,5-dimethyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2,5-dimethyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-oxo-3-(3-phenylpropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 2,5-dimethyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-2,5-dimethyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-11-14-16(24-15(11)18(22)23)19-12(2)20(17(14)21)10-6-9-13-7-4-3-5-8-13/h3-5,7-8H,6,9-10H2,1-2H3,(H,22,23)