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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C4C(=C(SC4=NC=N3)C(=O)O)C

InChI

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