N2-(3,4-dimethylphenyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine Openeye Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-phenyl-pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-5-nitro-N4-phenylpyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-5-nitro-4-N-phenylpyrimidine-2,4,6-triamine Traditional Name: (4-amino-6-anilino-5-nitro-pyrimidin-2-yl)-(3,4-dimethylphenyl)amine Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=C(C(=N2)NC3=CC=CC=C3)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H18N6O2/c1-11-8-9-14(10-12(11)2)21-18-22-16(19)15(24(25)26)17(23-18)20-13-6-4-3-5-7-13/h3-10H,1-2H3,(H4,19,20,21,22,23)