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

Systemtic Name: N4-(2-methoxyphenyl)-N2-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2-methoxyphenyl)-5-nitro-N2-(p-tolylmethyl)pyrimidine-2,4,6-triamine CAS Name: N4-(2-methoxyphenyl)-N2-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2-methoxyphenyl)-2-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]-(2-methoxyphenyl)amine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3OC)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=C(C(=N2)NC3=CC=CC=C3OC)[N+](=O)[O-])N

InChI

InChI=1S/C19H20N6O3/c1-12-7-9-13(10-8-12)11-21-19-23-17(20)16(25(26)27)18(24-19)22-14-5-3-4-6-15(14)28-2/h3-10H,11H2,1-2H3,(H4,20,21,22,23,24)