1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanone

Systemtic Name: 1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanone Openeye Name: 1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanone CAS Name: 1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinyl]ethanone IUPAC Name: 1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanone Traditional Name: 1-[7-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]ethanone Formula: C18H13N7OS MolecularWeight: 375.40712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C(=NC=N1)N=CN2CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

Isomeric SMILES

CC(=O)C1=C2C(=NC=N1)N=CN2CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

InChI

InChI=1S/C18H13N7OS/c1-10(26)14-15-16(22-8-21-14)23-9-25(15)7-11-2-3-13-12(6-11)24-17-18(27-13)20-5-4-19-17/h2-6,8-9H,7H2,1H3,(H,19,24)