N6-[(4-methoxyphenyl)methyl]-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-(3-methylpyridin-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-N4-(3-methyl-2-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-(3-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylpyridin-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (3-methyl-2-pyridyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C18H18N6O3 MolecularWeight: 366.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3/c1-12-4-3-9-19-16(12)23-18-15(24(25)26)17(21-11-22-18)20-10-13-5-7-14(27-2)8-6-13/h3-9,11H,10H2,1-2H3,(H2,19,20,21,22,23)