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

Systemtic Name: 6-ethyl-5-[4-[ethyl-(phenylmethyl)amino]-3-nitro-phenyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-[benzyl(ethyl)amino]-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[ethyl-(phenylmethyl)amino]-3-nitrophenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-[benzyl(ethyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine Traditional Name: benzyl-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-ethyl-amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-3-16-19(20(22)25-21(23)24-16)15-10-11-17(18(12-15)27(28)29)26(4-2)13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3,(H4,22,23,24,25)