N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(3-methoxypropyl)amine Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

COCCCNC1=NC(=C(C(=N1)NC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C16H22N6O5/c1-25-8-4-7-18-16-20-14(17)13(22(23)24)15(21-16)19-11-9-10(26-2)5-6-12(11)27-3/h5-6,9H,4,7-8H2,1-3H3,(H4,17,18,19,20,21)