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

Systemtic Name: 7-[2-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethyl-xanthine Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H18N6O3S/c1-4-10-7-11-14(27-10)19-9-23(15(11)24)6-5-22-8-18-13-12(22)16(25)21(3)17(26)20(13)2/h7-9H,4-6H2,1-3H3