N6-[(4-chlorophenyl)methyl]-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(2,3-dimethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H18ClN5O2/c1-12-4-3-5-16(13(12)2)24-19-17(25(26)27)18(22-11-23-19)21-10-14-6-8-15(20)9-7-14/h3-9,11H,10H2,1-2H3,(H2,21,22,23,24)