4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

InChI

InChI=1S/C20H22N4O2S/c1-12-4-5-13(2)15(10-12)23-6-8-24(9-7-23)18-16-14(3)17(20(25)26)27-19(16)22-11-21-18/h4-5,10-11H,6-9H2,1-3H3,(H,25,26)