N4-(2-ethylphenyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-ethylphenyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-ethylphenyl)-N6-[(4-methoxyphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-ethylphenyl)-N6-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-ethylphenyl)-6-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-ethylanilino)-5-nitro-pyrimidin-4-yl]-p-anisyl-amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-3-15-6-4-5-7-17(15)24-20-18(25(26)27)19(22-13-23-20)21-12-14-8-10-16(28-2)11-9-14/h4-11,13H,3,12H2,1-2H3,(H2,21,22,23,24)