N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C17H14N6O4 MolecularWeight: 366.33086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4/c24-23(25)15-16(19-10-20-17(15)22-12-2-1-5-18-9-12)21-11-3-4-13-14(8-11)27-7-6-26-13/h1-5,8-10H,6-7H2,(H2,19,20,21,22)