N4-methyl-N4-(1-methylpiperidin-4-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-N6-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-N6-(3-morpholinopropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-N6-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-6-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[6-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H31N7O3 MolecularWeight: 393.48384

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NCCCN3CCOCC3

InChI

InChI=1S/C18H31N7O3/c1-22-8-4-15(5-9-22)23(2)18-16(25(26)27)17(20-14-21-18)19-6-3-7-24-10-12-28-13-11-24/h14-15H,3-13H2,1-2H3,(H,19,20,21)