[4-(5-propylpyridin-2-yl)phenyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [4-(5-propylpyridin-2-yl)phenyl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [4-(5-propyl-2-pyridyl)phenyl] 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid [4-(5-propyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-propylpyridin-2-yl)phenyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [4-(5-propyl-2-pyridyl)phenyl] ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C4=C(S3)N=CN(C4=O)C)C

Isomeric SMILES

CCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C4=C(S3)N=CN(C4=O)C)C

InChI

InChI=1S/C23H21N3O3S/c1-4-5-15-6-11-18(24-12-15)16-7-9-17(10-8-16)29-23(28)20-14(2)19-21(30-20)25-13-26(3)22(19)27/h6-13H,4-5H2,1-3H3