N2-(4-ethylphenyl)-N4-(3-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-ethylphenyl)-N4-(3-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-ethylphenyl)-N4-(3-methoxyphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-ethylphenyl)-N4-(3-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-ethylphenyl)-4-N-(3-methoxyphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-ethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC(=CC=C3)OC)[N+](=O)[O-])C

InChI

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