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

Systemtic Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]piperidin-4-ol Openeye Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]piperidin-4-ol CAS Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinyl]-4-piperidinol IUPAC Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]piperidin-4-ol Traditional Name: 1-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]piperidin-4-ol Formula: C21H20N8OS MolecularWeight: 432.5015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C2=NC=NC3=C2N=CN3CC4=CC5=C(C=C4)SC6=NC=CN=C6N5

Isomeric SMILES

C1CN(CCC1O)C2=NC=NC3=C2N=CN3CC4=CC5=C(C=C4)SC6=NC=CN=C6N5

InChI

InChI=1S/C21H20N8OS/c30-14-3-7-28(8-4-14)19-17-20(25-11-24-19)29(12-26-17)10-13-1-2-16-15(9-13)27-18-21(31-16)23-6-5-22-18/h1-2,5-6,9,11-12,14,30H,3-4,7-8,10H2,(H,22,27)