1,3-dimethyl-7-[2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-oxidanylidenethieno[3,2-d]pyrimidin-3-yl)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-oxo-3-thieno[3,2-d]pyrimidinyl)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(4-ketothieno[3,2-d]pyrimidin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C15H14N6O3S MolecularWeight: 358.37506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C=NC4=C(C3=O)SC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3C=NC4=C(C3=O)SC=C4

InChI

InChI=1S/C15H14N6O3S/c1-18-12-10(13(22)19(2)15(18)24)20(8-17-12)4-5-21-7-16-9-3-6-25-11(9)14(21)23/h3,6-8H,4-5H2,1-2H3