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

Systemtic Name: 2-methyl-4-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]but-3-yn-2-ol CAS Name: 2-methyl-4-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purin-6-yl]but-3-yn-2-ol Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=C2C(=NC=N1)N(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)O

Isomeric SMILES

CC(C)(C#CC1=C2C(=NC=N1)N(C=N2)CC3=CC4=C(C=C3)SC5=NC=CN=C5N4)O

InChI

InChI=1S/C21H17N7OS/c1-21(2,29)6-5-14-17-19(25-11-24-14)28(12-26-17)10-13-3-4-16-15(9-13)27-18-20(30-16)23-8-7-22-18/h3-4,7-9,11-12,29H,10H2,1-2H3,(H,22,27)