N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(methylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C15H19N5O4 MolecularWeight: 333.34246

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O4/c1-16-14-13(20(21)22)15(19-9-18-14)17-7-6-10-4-5-11(23-2)12(8-10)24-3/h4-5,8-9H,6-7H2,1-3H3,(H2,16,17,18,19)