N6-(4-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-ethylphenyl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethylphenyl)-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-ethylphenyl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-3-15-9-11-17(12-10-15)23-19-18(25(26)27)20(22-14-21-19)24(2)13-16-7-5-4-6-8-16/h4-12,14H,3,13H2,1-2H3,(H,21,22,23)