N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H29N5O4 MolecularWeight: 499.56096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C28H29N5O4/c1-36-24-14-13-21(17-25(24)37-2)15-16-29-27-26(33(34)35)28(31-20-30-27)32(18-22-9-5-3-6-10-22)19-23-11-7-4-8-12-23/h3-14,17,20H,15-16,18-19H2,1-2H3,(H,29,30,31)