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

Systemtic Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetate CAS Name: 2-[[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetate IUPAC Name: 2-[7-[(4-tert-butylphenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylacetate Traditional Name: 2-[[7-(4-tert-butylbenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetate Formula: C20H23N4O4S- MolecularWeight: 415.48602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)[O-])N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC(=O)[O-])N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H24N4O4S/c1-20(2,3)13-8-6-12(7-9-13)10-24-15-16(21-18(24)29-11-14(25)26)22(4)19(28)23(5)17(15)27/h6-9H,10-11H2,1-5H3,(H,25,26)/p-1