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

Systemtic Name: N6-(4-butoxyphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butoxyphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O3/c1-2-3-18-36-25-16-14-24(15-17-25)31-27-26(33(34)35)28(30-21-29-27)32(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23/h4-17,21H,2-3,18-20H2,1H3,(H,29,30,31)