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

Systemtic Name: N6-ethyl-N6-(3-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-ethyl-N6-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-N6-(3-methylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-ethyl-6-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(N-ethyl-3-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C27H27N5O2 MolecularWeight: 453.53558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O2/c1-3-31(24-16-10-11-21(2)17-24)27-25(32(33)34)26(28-20-29-27)30(18-22-12-6-4-7-13-22)19-23-14-8-5-9-15-23/h4-17,20H,3,18-19H2,1-2H3