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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2,5-dimethoxyphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H21N5O5 MolecularWeight: 363.36844

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C16H21N5O5/c1-24-8-4-7-17-15-14(21(22)23)16(19-10-18-15)20-12-9-11(25-2)5-6-13(12)26-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)