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

Systemtic Name: N4-(3-methoxyphenyl)-N6-(2-morpholin-4-ylethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-methoxyphenyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-methoxyphenyl)-N6-[2-(4-morpholinyl)ethyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(m-anisidino)-5-nitro-pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C17H22N6O4 MolecularWeight: 374.39438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4/c1-26-14-4-2-3-13(11-14)21-17-15(23(24)25)16(19-12-20-17)18-5-6-22-7-9-27-10-8-22/h2-4,11-12H,5-10H2,1H3,(H2,18,19,20,21)