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

Systemtic Name: N-tert-butyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]thio]acetamide Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC(C)(C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NC(C)(C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H27N5O3S/c1-13-7-9-14(10-8-13)11-26-16-17(24(5)20(29)25(6)18(16)28)22-19(26)30-12-15(27)23-21(2,3)4/h7-10H,11-12H2,1-6H3,(H,23,27)