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

Systemtic Name: 6-ethyl-5-[4-[(4-methoxyphenyl)methyl-methyl-amino]-3-nitro-phenyl]pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-[4-[(4-methoxyphenyl)methyl-methyl-amino]-3-nitro-phenyl]pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-[4-[(4-methoxyphenyl)methyl-methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-[4-[(4-methoxyphenyl)methyl-methylamino]-3-nitrophenyl]pyrimidine-2,4-diamine Traditional Name: [4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-phenyl]-methyl-p-anisyl-amine Formula: C21H24N6O3 MolecularWeight: 408.45366

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3/c1-4-16-19(20(22)25-21(23)24-16)14-7-10-17(18(11-14)27(28)29)26(2)12-13-5-8-15(30-3)9-6-13/h5-11H,4,12H2,1-3H3,(H4,22,23,24,25)