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

Systemtic Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-[2-(3,4-dimethoxyphenyl)ethyl]-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: homoveratryl-[6-(3-methoxypropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H25N5O5 MolecularWeight: 391.4216

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C18H25N5O5/c1-26-10-4-8-19-17-16(23(24)25)18(22-12-21-17)20-9-7-13-5-6-14(27-2)15(11-13)28-3/h5-6,11-12H,4,7-10H2,1-3H3,(H2,19,20,21,22)