4-(2-methylphenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine

Systemtic Name: 4-(2-methylphenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine Openeye Name: 4-(o-tolyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine CAS Name: 4-(2-methylphenyl)-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid; piperazine IUPAC Name: 4-(2-methylphenyl)-2-piperazin-1-ylpyrimidine-5-carboxylic acid; piperazine Traditional Name: 4-(o-tolyl)-2-piperazino-pyrimidine-5-carboxylic acid; piperazine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)N3CCNCC3.C1CNCCN1

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)O)N3CCNCC3.C1CNCCN1

InChI

InChI=1S/C16H18N4O2.C4H10N2/c1-11-4-2-3-5-12(11)14-13(15(21)22)10-18-16(19-14)20-8-6-17-7-9-20;1-2-6-4-3-5-1/h2-5,10,17H,6-9H2,1H3,(H,21,22);5-6H,1-4H2