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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(3-morpholinopropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(3-morpholinopropyl)amine Formula: C19H27N7O5 MolecularWeight: 433.46158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

InChI

InChI=1S/C19H27N7O5/c1-29-13-4-5-15(30-2)14(12-13)22-18-16(26(27)28)17(20)23-19(24-18)21-6-3-7-25-8-10-31-11-9-25/h4-5,12H,3,6-11H2,1-2H3,(H4,20,21,22,23,24)