7-heptyl-8-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethylsulfanyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-heptyl-8-[[7-heptyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethylsulfanyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-heptyl-8-[(7-heptyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylmethylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-heptyl-8-[[(7-heptyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]methylthio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-heptyl-8-[(7-heptyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylmethylsulfanyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-heptyl-8-[[(7-heptyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]methylthio]-1,3-dimethyl-xanthine Formula: C29H44N8O4S2 MolecularWeight: 632.84086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCSC3=NC4=C(N3CCCCCCC)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SCSC3=NC4=C(N3CCCCCCC)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C29H44N8O4S2/c1-7-9-11-13-15-17-36-20-22(32(3)28(40)34(5)24(20)38)30-26(36)42-19-43-27-31-23-21(25(39)35(6)29(41)33(23)4)37(27)18-16-14-12-10-8-2/h7-19H2,1-6H3