7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC4=CC=CC=C43

InChI

InChI=1S/C17H17N5O3S/c1-19-15-14(16(24)20(2)17(19)25)21(10-18-15)9-13(23)22-7-8-26-12-6-4-3-5-11(12)22/h3-6,10H,7-9H2,1-2H3