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

Systemtic Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[7-(4-tert-butylbenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]-N-phenethyl-acetamide Formula: C28H33N5O3S MolecularWeight: 519.65832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)NCCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C28H33N5O3S/c1-28(2,3)21-13-11-20(12-14-21)17-33-23-24(31(4)27(36)32(5)25(23)35)30-26(33)37-18-22(34)29-16-15-19-9-7-6-8-10-19/h6-14H,15-18H2,1-5H3,(H,29,34)