N4-(2-methoxy-5-methyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methoxy-5-methyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(2-methoxy-5-methyl-phenyl)-N6-(3-methoxypropyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(2-methoxy-5-methylphenyl)-N6-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methoxy-5-methylphenyl)-6-N-(3-methoxypropyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-methoxy-5-methyl-anilino)-5-nitro-pyrimidin-4-yl]-(3-methoxypropyl)amine Formula: C16H21N5O4 MolecularWeight: 347.36904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-11-5-6-13(25-3)12(9-11)20-16-14(21(22)23)15(18-10-19-16)17-7-4-8-24-2/h5-6,9-10H,4,7-8H2,1-3H3,(H2,17,18,19,20)