N6-(3-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O2/c1-19-9-8-14-22(15-19)28-24-23(30(31)32)25(27-18-26-24)29(16-20-10-4-2-5-11-20)17-21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3,(H,26,27,28)