7-(phenylmethyl)-6-(phenylmethylsulfanyl)-3-propyl-purin-2-one

Systemtic Name: 7-(phenylmethyl)-6-(phenylmethylsulfanyl)-3-propyl-purin-2-one Openeye Name: 7-benzyl-6-benzylsulfanyl-3-propyl-purin-2-one CAS Name: 7-(phenylmethyl)-6-(phenylmethylthio)-3-propyl-2-purinone IUPAC Name: 7-benzyl-6-benzylsulfanyl-3-propylpurin-2-one Traditional Name: 7-benzyl-6-(benzylthio)-3-propyl-purin-2-one Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SCC3=CC=CC=C3)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-2-13-26-20-19(25(16-23-20)14-17-9-5-3-6-10-17)21(24-22(26)27)28-15-18-11-7-4-8-12-18/h3-12,16H,2,13-15H2,1H3