2-ethyl-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purin-6-amine

Systemtic Name: 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purin-6-amine Openeye Name: 9-benzyl-8-benzylsulfanyl-2-ethyl-N-[(4-methoxyphenyl)methyl]purin-6-amine CAS Name: 2-ethyl-N-[(4-methoxyphenyl)methyl]-9-(phenylmethyl)-8-(phenylmethylthio)-6-purinamine IUPAC Name: 9-benzyl-8-benzylsulfanyl-2-ethyl-N-[(4-methoxyphenyl)methyl]purin-6-amine Traditional Name: [9-benzyl-8-(benzylthio)-2-ethyl-purin-6-yl]-p-anisyl-amine Formula: C29H29N5OS MolecularWeight: 495.63846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)N=C(N2CC4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CCC1=NC2=C(C(=N1)NCC3=CC=C(C=C3)OC)N=C(N2CC4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C29H29N5OS/c1-3-25-31-27(30-18-21-14-16-24(35-2)17-15-21)26-28(32-25)34(19-22-10-6-4-7-11-22)29(33-26)36-20-23-12-8-5-9-13-23/h4-17H,3,18-20H2,1-2H3,(H,30,31,32)