N4-[(4-methoxyphenyl)methyl]-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-[(4-methoxyphenyl)methyl]-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-[(4-methoxyphenyl)methyl]-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methoxyphenyl)methyl]-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCC3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3/c1-14-3-5-15(6-4-14)11-21-19-18(25(26)27)20(24-13-23-19)22-12-16-7-9-17(28-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,21,22,23,24)