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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCCSC3=NC4=C(N3C(C)C)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCCSC3=NC4=C(N3C(C)C)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N8O4S2/c1-9(2)27-11-13(25(5)17(31)23-15(11)29)21-19(27)33-7-8-34-20-22-14-12(28(20)10(3)4)16(30)24-18(32)26(14)6/h9-10H,7-8H2,1-6H3,(H,23,29,31)(H,24,30,32)