1,3-dimethyl-7-[2-oxidanylidene-2-[2-(phenylmethyl)imino-1,3-thiazolidin-3-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanylidene-2-[2-(phenylmethyl)imino-1,3-thiazolidin-3-yl]ethyl]purine-2,6-dione Openeye Name: 7-[2-(2-benzyliminothiazolidin-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-oxo-2-[2-(phenylmethyl)imino-3-thiazolidinyl]ethyl]purine-2,6-dione IUPAC Name: 7-[2-(2-benzylimino-1,3-thiazolidin-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(2-benzyliminothiazolidin-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC3=NCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCSC3=NCC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O3S/c1-22-16-15(17(27)23(2)19(22)28)24(12-21-16)11-14(26)25-8-9-29-18(25)20-10-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3