N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-6-carboximidamide

Systemtic Name: N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-6-carboximidamide Openeye Name: N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-6-carboxamidine CAS Name: N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)-6-purinecarboximidamide IUPAC Name: N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-6-carboximidamide Traditional Name: N'-cyano-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-6-carboxamidine Formula: C18H12N10S MolecularWeight: 400.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N10S/c19-7-23-15(20)13-14-17(25-8-24-13)28(9-26-14)6-10-1-2-12-11(5-10)27-16-18(29-12)22-4-3-21-16/h1-5,8-9H,6H2,(H2,20,23)(H,21,27)