N,N-dicyclohexyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-ethanamide Openeye Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N,N-dicyclohexyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]acetamide IUPAC Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N,N-dicyclohexyl-acetamide Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N(C3CCCCC3)C4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)N(C3CCCCC3)C4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H37N5O3S/c1-30-25-24(26(35)31(2)28(30)36)32(18-20-12-6-3-7-13-20)27(29-25)37-19-23(34)33(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3,6-7,12-13,21-22H,4-5,8-11,14-19H2,1-2H3