5-nitro-N4,N4-bis(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(4-isopropylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N4-bis(phenylmethyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: dibenzyl-(6-cumidino-5-nitro-pyrimidin-4-yl)amine Formula: C27H27N5O2 MolecularWeight: 453.53558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O2/c1-20(2)23-13-15-24(16-14-23)30-26-25(32(33)34)27(29-19-28-26)31(17-21-9-5-3-6-10-21)18-22-11-7-4-8-12-22/h3-16,19-20H,17-18H2,1-2H3,(H,28,29,30)