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

Systemtic Name: 6-ethyl-5-[3-[methyl-(phenylmethyl)amino]-4-nitro-phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[3-[benzyl(methyl)amino]-4-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[3-[methyl-(phenylmethyl)amino]-4-nitrophenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[3-[benzyl(methyl)amino]-4-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: benzyl-[5-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-methyl-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)[N+](=O)[O-])N(C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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