6-(4-methylpiperazin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-methylpiperazin-1-yl)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H23N7O2 MolecularWeight: 405.45302

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N7O2/c1-25-11-13-26(14-12-25)20-19(28(29)30)21(24-16-23-20)27(18-9-5-6-10-22-18)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3