6-ethyl-5-[4-[(4-methylphenyl)methylamino]-3-nitro-phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[(4-methylphenyl)methylamino]-3-nitro-phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[3-nitro-4-(p-tolylmethylamino)phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-methylphenyl)methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-(4-methylbenzyl)amine Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2/c1-3-15-18(19(21)25-20(22)24-15)14-8-9-16(17(10-14)26(27)28)23-11-13-6-4-12(2)5-7-13/h4-10,23H,3,11H2,1-2H3,(H4,21,22,24,25)