2-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-7-octyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-iodophenyl)ethanamide Openeye Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-iodophenyl)acetamide CAS Name: 2-[(1,3-dimethyl-7-octyl-2,6-dioxo-8-purinyl)thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-7-octyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-iodophenyl)acetamide Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7-octyl-purin-8-yl)thio]-N-(4-iodophenyl)acetamide Formula: C23H30IN5O3S MolecularWeight: 583.48547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)I)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)I)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C23H30IN5O3S/c1-4-5-6-7-8-9-14-29-19-20(27(2)23(32)28(3)21(19)31)26-22(29)33-15-18(30)25-17-12-10-16(24)11-13-17/h10-13H,4-9,14-15H2,1-3H3,(H,25,30)