N6-[(4-chlorophenyl)methyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-[(4-chlorobenzyl)amino]-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-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN5O2/c1-3-25(17-6-4-5-14(2)11-17)20-18(26(27)28)19(23-13-24-20)22-12-15-7-9-16(21)10-8-15/h4-11,13H,3,12H2,1-2H3,(H,22,23,24)