N6-[(4-methylphenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(p-tolylmethyl)-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methylphenyl)methyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: (4-methylbenzyl)-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N6O2/c1-14-7-9-15(10-8-14)12-23-20-19(27(28)29)21(25-13-24-20)26-17-6-2-4-16-5-3-11-22-18(16)17/h2-11,13H,12H2,1H3,(H2,23,24,25,26)