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

Systemtic Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-ethyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-ethyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-ethyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-ethyl-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC=N1)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C(=NC=N1)NCCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-4-17-15-14(21(22)23)16(20-10-19-15)18-8-7-11-5-6-12(24-2)13(9-11)25-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)