N2-(2-ethylphenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(2-ethylphenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(2-ethylphenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(2-ethylphenyl)-N4-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(2-ethylphenyl)-4-N-(4-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(2-ethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=C(C(=N2)NC3=CC=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N5O3/c1-4-14-7-5-6-8-17(14)23-20-21-13(2)18(25(26)27)19(24-20)22-15-9-11-16(28-3)12-10-15/h5-12H,4H2,1-3H3,(H2,21,22,23,24)