1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-9-(10H-pyrazino[2,3-b][1,4]benzothiazin-8-ylmethyl)xanthine Formula: C18H15N7O2S MolecularWeight: 393.4224

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN2CC3=CC4=C(C=C3)SC5=NC=CN=C5N4

InChI

InChI=1S/C18H15N7O2S/c1-23-16-13(17(26)24(2)18(23)27)21-9-25(16)8-10-3-4-12-11(7-10)22-14-15(28-12)20-6-5-19-14/h3-7,9H,8H2,1-2H3,(H,19,22)