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

Systemtic Name: N6-(4-butylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-butylphenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O2/c1-2-3-10-22-15-17-25(18-16-22)31-27-26(33(34)35)28(30-21-29-27)32(19-23-11-6-4-7-12-23)20-24-13-8-5-9-14-24/h4-9,11-18,21H,2-3,10,19-20H2,1H3,(H,29,30,31)