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

Systemtic Name: 2,5-dimethyl-4-[4-(phenylmethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-benzyl-1-piperidyl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2,5-dimethyl-4-[4-(phenylmethyl)-1-piperidinyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-(4-benzylpiperidin-1-yl)-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-benzylpiperidino)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)CC4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC(CC3)CC4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C21H23N3O2S/c1-13-17-19(22-14(2)23-20(17)27-18(13)21(25)26)24-10-8-16(9-11-24)12-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3,(H,25,26)