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

Systemtic Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-nitrophenyl)-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C18H16N6O4 MolecularWeight: 380.35744

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O4/c1-12-5-7-13(8-6-12)10-19-17-16(24(27)28)18(21-11-20-17)22-14-3-2-4-15(9-14)23(25)26/h2-9,11H,10H2,1H3,(H2,19,20,21,22)