4-[[[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[2-azanyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-amino-6-(4-methylpiperazino)pyrimidin-4-yl]amino]methyl]benzoic acid Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)N)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H22N6O2/c1-22-6-8-23(9-7-22)15-10-14(20-17(18)21-15)19-11-12-2-4-13(5-3-12)16(24)25/h2-5,10H,6-9,11H2,1H3,(H,24,25)(H3,18,19,20,21)