N6-[(2-chlorophenyl)methyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4-naphthalen-1-yl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-(1-naphthyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4-(1-naphthalenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H16ClN5O2 MolecularWeight: 405.83704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O2/c22-17-10-4-2-7-15(17)12-23-20-19(27(28)29)21(25-13-24-20)26-18-11-5-8-14-6-1-3-9-16(14)18/h1-11,13H,12H2,(H2,23,24,25,26)