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

Systemtic Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O4/c25-24(26)16-17(20-10-12-2-1-5-19-9-12)21-11-22-18(16)23-13-3-4-14-15(8-13)28-7-6-27-14/h1-5,8-9,11H,6-7,10H2,(H2,20,21,22,23)