3-butyl-7-ethyl-8-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]xanthine Formula: C20H24N6O3S2 MolecularWeight: 460.57296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC4=C(C(=O)N3CC)SC=C4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NC4=C(C(=O)N3CC)SC=C4)CC

InChI

InChI=1S/C20H24N6O3S2/c1-4-7-9-26-16-14(17(27)23-19(26)29)24(5-2)13(22-16)11-31-20-21-12-8-10-30-15(12)18(28)25(20)6-3/h8,10H,4-7,9,11H2,1-3H3,(H,23,27,29)