N6-(4-ethoxyphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-ethoxyphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-ethoxyphenyl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-ethoxyphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(p-phenetidino)pyrimidin-4-yl]amine Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H23N5O3/c1-4-25(17-8-6-7-15(3)13-17)21-19(26(27)28)20(22-14-23-21)24-16-9-11-18(12-10-16)29-5-2/h6-14H,4-5H2,1-3H3,(H,22,23,24)