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

Systemtic Name: 2-[7-butyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[(7-butyl-1,3-dimethyl-2,6-dioxo-8-purinyl)thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-(7-butyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[(7-butyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-p-phenetyl-acetamide Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OCC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OCC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O4S/c1-5-7-12-26-17-18(24(3)21(29)25(4)19(17)28)23-20(26)31-13-16(27)22-14-8-10-15(11-9-14)30-6-2/h8-11H,5-7,12-13H2,1-4H3,(H,22,27)