N4-(3-chlorophenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(3-chlorophenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(3-chlorophenyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N4-(3-chlorophenyl)-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-chlorophenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(3-chloroanilino)-5-nitro-pyrimidin-2-yl]-(4-methylbenzyl)amine Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC(=CC=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C18H17ClN6O2/c1-11-5-7-12(8-6-11)10-21-18-23-16(20)15(25(26)27)17(24-18)22-14-4-2-3-13(19)9-14/h2-9H,10H2,1H3,(H4,20,21,22,23,24)