6-ethyl-5-[4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-[4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-fluorophenyl)methyl-methyl-amino]-3-nitro-phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-fluorophenyl)methyl-methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-fluorophenyl)methyl-methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-(4-fluorobenzyl)-methyl-amine Formula: C20H21FN6O2 MolecularWeight: 396.418143

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN6O2/c1-3-15-18(19(22)25-20(23)24-15)13-6-9-16(17(10-13)27(28)29)26(2)11-12-4-7-14(21)8-5-12/h4-10H,3,11H2,1-2H3,(H4,22,23,24,25)