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

Systemtic Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-yl)-5-nitro-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-yl)-5-nitro-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H12N6O4 MolecularWeight: 352.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)NC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4/c23-22(24)14-15(20-10-3-4-12-13(6-10)26-9-25-12)18-8-19-16(14)21-11-2-1-5-17-7-11/h1-8H,9H2,(H2,18,19,20,21)