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

Systemtic Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-phenyl-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(4-methylbenzyl)amine Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2/c1-13-7-9-14(10-8-13)11-19-17-16(23(24)25)18(21-12-20-17)22-15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H2,19,20,21,22)