6-ethyl-5-[4-[[(4-nitrophenyl)amino]methyl]phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[[(4-nitrophenyl)amino]methyl]phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-nitroanilino)methyl]phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-nitroanilino)methyl]phenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-nitroanilino)methyl]phenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzyl]-(4-nitrophenyl)amine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2/c1-2-16-17(18(20)24-19(21)23-16)13-5-3-12(4-6-13)11-22-14-7-9-15(10-8-14)25(26)27/h3-10,22H,2,11H2,1H3,(H4,20,21,23,24)