7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C22H25N7O4S MolecularWeight: 483.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C22H25N7O4S/c1-4-33-14-6-5-7-15-17(14)24-21(34-15)28-10-8-27(9-11-28)16(30)12-29-13-23-19-18(29)20(31)26(3)22(32)25(19)2/h5-7,13H,4,8-12H2,1-3H3