4-(4-fluoranyl-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-piperazin-1-yl-pyrimidine-5-carboxylic acid; piperazine CAS Name: 4-(4-fluoro-2-methylphenyl)-2-(1-piperazinyl)-5-pyrimidinecarboxylic acid; piperazine IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-piperazin-1-ylpyrimidine-5-carboxylic acid; piperazine Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-2-piperazino-pyrimidine-5-carboxylic acid; piperazine Formula: C20H27FN6O2 MolecularWeight: 402.465783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCNCC3.C1CNCCN1

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCNCC3.C1CNCCN1

InChI

InChI=1S/C16H17FN4O2.C4H10N2/c1-10-8-11(17)2-3-12(10)14-13(15(22)23)9-19-16(20-14)21-6-4-18-5-7-21;1-2-6-4-3-5-1/h2-3,8-9,18H,4-7H2,1H3,(H,22,23);5-6H,1-4H2