N6-[(2-chlorophenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amine Formula: C20H15ClN6O2 MolecularWeight: 406.8251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN6O2/c21-15-8-2-1-5-14(15)11-23-19-18(27(28)29)20(25-12-24-19)26-16-9-3-6-13-7-4-10-22-17(13)16/h1-10,12H,11H2,(H2,23,24,25,26)