1-methylpiperazine; 2-(4-methylpiperazin-1-yl)-4-phenoxy-pyrimidine-5-carboxylic acid

Systemtic Name: 1-methylpiperazine; 2-(4-methylpiperazin-1-yl)-4-phenoxy-pyrimidine-5-carboxylic acid Openeye Name: 1-methylpiperazine; 2-(4-methylpiperazin-1-yl)-4-phenoxy-pyrimidine-5-carboxylic acid CAS Name: 1-methylpiperazine; 2-(4-methyl-1-piperazinyl)-4-phenoxy-5-pyrimidinecarboxylic acid IUPAC Name: 1-methylpiperazine; 2-(4-methylpiperazin-1-yl)-4-phenoxypyrimidine-5-carboxylic acid Traditional Name: 1-methylpiperazine; 2-(4-methylpiperazino)-4-phenoxy-pyrimidine-5-carboxylic acid Formula: C21H30N6O3 MolecularWeight: 414.5013

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CN1CCNCC1.CN1CCN(CC1)C2=NC=C(C(=N2)OC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H18N4O3.C5H12N2/c1-19-7-9-20(10-8-19)16-17-11-13(15(21)22)14(18-16)23-12-5-3-2-4-6-12;1-7-4-2-6-3-5-7/h2-6,11H,7-10H2,1H3,(H,21,22);6H,2-5H2,1H3