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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27N5O4S/c1-5-6-11-26-17-18(24(2)21(29)25(3)19(17)28)23-20(26)31-13-16(27)22-12-14-7-9-15(30-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3,(H,22,27)