N4-(4-chlorophenyl)-N2-methyl-5-nitro-N2-(phenylmethyl)pyrimidine-2,4,6-triamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

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