N4-(2-methoxyphenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methoxyphenyl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxyphenyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxyphenyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxyphenyl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: (2-methoxyphenyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C(=NC=N2)NCCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4/c1-27-15-6-3-2-5-14(15)22-18-16(24(25)26)17(20-13-21-18)19-7-4-8-23-9-11-28-12-10-23/h2-3,5-6,13H,4,7-12H2,1H3,(H2,19,20,21,22)