N4-(4-methylphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(4-methylphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: 5-nitro-N2-phenethyl-N4-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N4-(4-methylphenyl)-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-methylphenyl)-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [6-amino-5-nitro-2-(phenethylamino)pyrimidin-4-yl]-(p-tolyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N6O2/c1-13-7-9-15(10-8-13)22-18-16(25(26)27)17(20)23-19(24-18)21-12-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H4,20,21,22,23,24)