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

Systemtic Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-quinolin-8-yl-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(8-quinolyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(8-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine Traditional Name: (4-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=CC2=C(C(=C1)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-])N=CC=C2

InChI

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