N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenylsulfanyl-pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(phenylthio)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-phenylsulfanylpyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine Formula: C17H12N4O4S MolecularWeight: 368.36658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O4S/c22-21(23)15-16(20-11-6-7-13-14(8-11)25-10-24-13)18-9-19-17(15)26-12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20)