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

Systemtic Name: 3-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]propan-1-ol Openeye Name: 3-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]propan-1-ol CAS Name: 3-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinyl]-1-propanol IUPAC Name: 3-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]propan-1-ol Traditional Name: 3-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]propan-1-ol Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CN3C=NC4=C(N=CN=C43)CCCO)NC5=NC=CN=C5S2

Isomeric SMILES

C1=CC2=C(C=C1CN3C=NC4=C(N=CN=C43)CCCO)NC5=NC=CN=C5S2

InChI

InChI=1S/C19H17N7OS/c27-7-1-2-13-16-18(23-10-22-13)26(11-24-16)9-12-3-4-15-14(8-12)25-17-19(28-15)21-6-5-20-17/h3-6,8,10-11,27H,1-2,7,9H2,(H,20,25)