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

Systemtic Name: N4-(3-methylphenyl)-N2-(3-morpholin-4-ylpropyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3-morpholinopropyl)-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(3-methylphenyl)-N2-[3-(4-morpholinyl)propyl]-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(3-methylphenyl)-2-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3-morpholinopropylamino)-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C18H25N7O3 MolecularWeight: 387.4362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCCN3CCOCC3

InChI

InChI=1S/C18H25N7O3/c1-13-4-2-5-14(12-13)21-17-15(25(26)27)16(19)22-18(23-17)20-6-3-7-24-8-10-28-11-9-24/h2,4-5,12H,3,6-11H2,1H3,(H4,19,20,21,22,23)