N6-(6-methylpyridin-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(6-methylpyridin-2-yl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(6-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(6-methyl-2-pyridinyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(6-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-[(6-methyl-2-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O2/c1-18-9-8-14-21(27-18)28-23-22(30(31)32)24(26-17-25-23)29(15-19-10-4-2-5-11-19)16-20-12-6-3-7-13-20/h2-14,17H,15-16H2,1H3,(H,25,26,27,28)