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

Systemtic Name: N4-(4-methoxyphenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(4-methoxyphenyl)-N2-(3-morpholinopropyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(4-methoxyphenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(4-methoxyphenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C18H25N7O4 MolecularWeight: 403.4356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O4/c1-28-14-5-3-13(4-6-14)21-17-15(25(26)27)16(19)22-18(23-17)20-7-2-8-24-9-11-29-12-10-24/h3-6H,2,7-12H2,1H3,(H4,19,20,21,22,23)