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

Systemtic Name: 2-[7-hexadecyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(7-hexadecyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[(7-hexadecyl-3-methyl-2,6-dioxo-8-purinyl)thio]-N-phenylacetamide IUPAC Name: 2-(7-hexadecyl-3-methyl-2,6-dioxopurin-8-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[(7-cetyl-2,6-diketo-3-methyl-purin-8-yl)thio]-N-phenyl-acetamide Formula: C30H45N5O3S MolecularWeight: 555.775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCC(=O)NC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C30H45N5O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-35-26-27(34(2)29(38)33-28(26)37)32-30(35)39-23-25(36)31-24-20-17-16-18-21-24/h16-18,20-21H,3-15,19,22-23H2,1-2H3,(H,31,36)(H,33,37,38)