N6-(4-chloranyl-2-methyl-phenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-chloranyl-2-methyl-phenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-chloro-2-methyl-phenyl)-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-chloro-2-methylphenyl)-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-chloro-2-methylphenyl)-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O2/c1-4-25(16-7-5-6-13(2)10-16)20-18(26(27)28)19(22-12-23-20)24-17-9-8-15(21)11-14(17)3/h5-12H,4H2,1-3H3,(H,22,23,24)