1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanol

Systemtic Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanol Openeye Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanol CAS Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinyl]ethanol IUPAC Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanol Traditional Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanol Formula: C18H15N7OS MolecularWeight: 377.423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)O

Isomeric SMILES

CC(C1=C2C(=NC=N1)N(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)O

InChI

InChI=1S/C18H15N7OS/c1-10(26)14-15-17(22-8-21-14)25(9-23-15)7-11-2-3-13-12(6-11)24-16-18(27-13)20-5-4-19-16/h2-6,8-10,26H,7H2,1H3,(H,19,24)