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

Systemtic Name: 2,5-dimethyl-4-[4-(phenylmethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[4-(phenylmethyl)-1-piperazinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-benzylpiperazino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CC4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)CC4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C20H22N4O2S/c1-13-16-18(21-14(2)22-19(16)27-17(13)20(25)26)24-10-8-23(9-11-24)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,25,26)