3-methyl-8-[2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethylsulfanyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-[3-methyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]sulfanylethylsulfanyl]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-propyl-purin-8-yl)sulfanylethylsulfanyl]-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[2-[(3-methyl-2,6-dioxo-7-propyl-8-purinyl)thio]ethylthio]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylethylsulfanyl]-7-propylpurine-2,6-dione Traditional Name: 8-[2-[(2,6-diketo-3-methyl-7-propyl-purin-8-yl)thio]ethylthio]-3-methyl-7-propyl-xanthine Formula: C20H26N8O4S2 MolecularWeight: 506.60164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCCSC3=NC4=C(N3CCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1SCCSC3=NC4=C(N3CCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N8O4S2/c1-5-7-27-11-13(25(3)17(31)23-15(11)29)21-19(27)33-9-10-34-20-22-14-12(28(20)8-6-2)16(30)24-18(32)26(14)4/h5-10H2,1-4H3,(H,23,29,31)(H,24,30,32)