3-butyl-7-ethyl-8-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[(4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[(4-ketothieno[2,3-d]pyrimidin-3-yl)methyl]xanthine Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=C(C3=O)C=CS4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C=NC4=C(C3=O)C=CS4)CC

InChI

InChI=1S/C18H20N6O3S/c1-3-5-7-24-14-13(15(25)21-18(24)27)23(4-2)12(20-14)9-22-10-19-16-11(17(22)26)6-8-28-16/h6,8,10H,3-5,7,9H2,1-2H3,(H,21,25,27)