2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[7-dodecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-dodecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(7-dodecyl-3-methyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(7-dodecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(2,6-diketo-7-lauryl-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C26H37N5O3S MolecularWeight: 499.66868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H37N5O3S/c1-3-4-5-6-7-8-9-10-11-15-18-31-22-23(30(2)25(34)29-24(22)33)28-26(31)35-19-21(32)27-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3,(H,27,32)(H,29,33,34)