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

Systemtic Name: N-tert-butyl-2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]thio]acetamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C24H27N5O3S/c1-24(2,3)26-18(30)14-33-22-25-20-19(21(31)28(5)23(32)27(20)4)29(22)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,13-14H2,1-5H3,(H,26,30)