N4-ethyl-N4-naphthalen-1-yl-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-naphthalen-1-yl-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(1-naphthyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(1-naphthalenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-naphthalen-1-yl-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: ethyl-(1-naphthyl)-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C22H20N6O2 MolecularWeight: 400.4332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4

Isomeric SMILES

CCN(C1=CC=CC2=CC=CC=C21)C3=NC=NC(=C3[N+](=O)[O-])NCC4=CN=CC=C4

InChI

InChI=1S/C22H20N6O2/c1-2-27(19-11-5-9-17-8-3-4-10-18(17)19)22-20(28(29)30)21(25-15-26-22)24-14-16-7-6-12-23-13-16/h3-13,15H,2,14H2,1H3,(H,24,25,26)