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

Systemtic Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-phenethyl-N4-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-[(4-methylphenyl)methyl]-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-[(4-methylphenyl)methyl]-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-15-7-9-17(10-8-15)13-22-20-18(25(26)27)19(23-14-24-20)21-12-11-16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H2,21,22,23,24)