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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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