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

Systemtic Name: 5-methyl-4-oxidanylidene-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-(3-phenylpropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-oxo-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-11-13-15(23-14(11)17(21)22)18-10-19(16(13)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,21,22)