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

Systemtic Name: 3-methyl-8-[3-methyl-7-nonyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-8-(3-methyl-7-nonyl-2,6-dioxo-purin-8-yl)sulfanyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-[(3-methyl-7-nonyl-2,6-dioxo-8-purinyl)thio]-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-(3-methyl-7-nonyl-2,6-dioxopurin-8-yl)sulfanyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(2,6-diketo-3-methyl-7-nonyl-purin-8-yl)thio]-3-methyl-7-nonyl-xanthine Formula: C30H46N8O4S MolecularWeight: 614.80244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SC3=NC4=C(N3CCCCCCCCC)C(=O)NC(=O)N4C)N(C(=O)NC2=O)C

InChI

InChI=1S/C30H46N8O4S/c1-5-7-9-11-13-15-17-19-37-21-23(35(3)27(41)33-25(21)39)31-29(37)43-30-32-24-22(26(40)34-28(42)36(24)4)38(30)20-18-16-14-12-10-8-6-2/h5-20H2,1-4H3,(H,33,39,41)(H,34,40,42)