4-(4-fluoranyl-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Openeye Name: 4-(4-fluoro-2-methyl-phenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine CAS Name: 4-(4-fluoro-2-methylphenyl)-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxylic acid; 1-methylpiperazine IUPAC Name: 4-(4-fluoro-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylic acid; 1-methylpiperazine Traditional Name: 4-(4-fluoro-2-methyl-phenyl)-2-(4-methylpiperazino)pyrimidine-5-carboxylic acid; 1-methylpiperazine Formula: C22H31FN6O2 MolecularWeight: 430.518943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCN(CC3)C.CN1CCNCC1

Isomeric SMILES

CC1=C(C=CC(=C1)F)C2=NC(=NC=C2C(=O)O)N3CCN(CC3)C.CN1CCNCC1

InChI

InChI=1S/C17H19FN4O2.C5H12N2/c1-11-9-12(18)3-4-13(11)15-14(16(23)24)10-19-17(20-15)22-7-5-21(2)6-8-22;1-7-4-2-6-3-5-7/h3-4,9-10H,5-8H2,1-2H3,(H,23,24);6H,2-5H2,1H3