4-[9-(phenylmethyl)-6-(phenylmethylsulfanyl)purin-8-yl]morpholine

Systemtic Name: 4-[9-(phenylmethyl)-6-(phenylmethylsulfanyl)purin-8-yl]morpholine Openeye Name: 4-(9-benzyl-6-benzylsulfanyl-purin-8-yl)morpholine CAS Name: 4-[9-(phenylmethyl)-6-(phenylmethylthio)-8-purinyl]morpholine IUPAC Name: 4-(9-benzyl-6-benzylsulfanylpurin-8-yl)morpholine Traditional Name: 4-[9-benzyl-6-(benzylthio)purin-8-yl]morpholine Formula: C23H23N5OS MolecularWeight: 417.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC3=C(N2CC4=CC=CC=C4)N=CN=C3SCC5=CC=CC=C5

InChI

InChI=1S/C23H23N5OS/c1-3-7-18(8-4-1)15-28-21-20(26-23(28)27-11-13-29-14-12-27)22(25-17-24-21)30-16-19-9-5-2-6-10-19/h1-10,17H,11-16H2