8-[(6-piperidin-1-ylpurin-9-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine

Systemtic Name: 8-[(6-piperidin-1-ylpurin-9-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Openeye Name: 8-[[6-(1-piperidyl)purin-9-yl]methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine CAS Name: 8-[[6-(1-piperidinyl)-9-purinyl]methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine IUPAC Name: 8-[(6-piperidin-1-ylpurin-9-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Traditional Name: 8-[(6-piperidinopurin-9-yl)methyl]-10H-pyrazino[2,3-b][1,4]benzothiazine Formula: C21H20N8S MolecularWeight: 416.5021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2N=CN3CC4=CC5=C(C=C4)SC6=NC=CN=C6N5

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2N=CN3CC4=CC5=C(C=C4)SC6=NC=CN=C6N5

InChI

InChI=1S/C21H20N8S/c1-2-8-28(9-3-1)19-17-20(25-12-24-19)29(13-26-17)11-14-4-5-16-15(10-14)27-18-21(30-16)23-7-6-22-18/h4-7,10,12-13H,1-3,8-9,11H2,(H,22,27)