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

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O2/c1-12-3-2-4-15(9-12)23-18-16(24(25)26)17(21-11-22-18)20-10-13-5-7-14(19)8-6-13/h2-9,11H,10H2,1H3,(H2,20,21,22,23)