2-azanyl-6-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-hydroxyethylthio)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-hydroxyethylsulfanyl)-4-[2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(2-hydroxyethylthio)-4-(2-methylol-2,3-dihydro-1,4-benzodioxin-6-yl)dinicotinonitrile Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N)CO

Isomeric SMILES

C1C(OC2=C(O1)C=C(C=C2)C3=C(C(=NC(=C3C#N)SCCO)N)C#N)CO

InChI

InChI=1S/C18H16N4O4S/c19-6-12-16(13(7-20)18(22-17(12)21)27-4-3-23)10-1-2-14-15(5-10)25-9-11(8-24)26-14/h1-2,5,11,23-24H,3-4,8-9H2,(H2,21,22)