N6-(4-methylpiperazin-1-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-methylpiperazin-1-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-methylpiperazin-1-yl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methyl-1-piperazinyl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-methylpiperazin-1-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4-methylpiperazino)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H24N8O2 MolecularWeight: 420.46766

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N8O2/c1-26-11-13-27(14-12-26)25-20-19(29(30)31)21(24-16-23-20)28(18-9-5-6-10-22-18)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,23,24,25)