3,5-dimethyl-2-piperazin-1-yl-4-pyrimidin-2-yl-benzoic acid

Systemtic Name: 3,5-dimethyl-2-piperazin-1-yl-4-pyrimidin-2-yl-benzoic acid Openeye Name: 3,5-dimethyl-2-piperazin-1-yl-4-pyrimidin-2-yl-benzoic acid CAS Name: 3,5-dimethyl-2-(1-piperazinyl)-4-(2-pyrimidinyl)benzoic acid IUPAC Name: 3,5-dimethyl-2-piperazin-1-yl-4-pyrimidin-2-ylbenzoic acid Traditional Name: 3,5-dimethyl-2-piperazino-4-(2-pyrimidyl)benzoic acid Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)N2CCNCC2)C)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)N2CCNCC2)C)C3=NC=CC=N3

InChI

InChI=1S/C17H20N4O2/c1-11-10-13(17(22)23)15(21-8-6-18-7-9-21)12(2)14(11)16-19-4-3-5-20-16/h3-5,10,18H,6-9H2,1-2H3,(H,22,23)