(E)-1-(6-aminopurin-9-yl)-6-phenylsulfanyl-hex-4-en-3-ol

Systemtic Name: (E)-1-(6-aminopurin-9-yl)-6-phenylsulfanyl-hex-4-en-3-ol Openeye Name: (E)-1-(6-aminopurin-9-yl)-6-phenylsulfanyl-hex-4-en-3-ol CAS Name: (E)-1-(6-aminopurin-9-yl)-6-(phenylthio)-4-hexen-3-ol IUPAC Name: (E)-1-(6-aminopurin-9-yl)-6-phenylsulfanylhex-4-en-3-ol Traditional Name: (E)-1-adenin-9-yl-6-(phenylthio)hex-4-en-3-ol Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC=CC(CCN2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C1=CC=C(C=C1)SC/C=C/C(CCN2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C17H19N5OS/c18-16-15-17(20-11-19-16)22(12-21-15)9-8-13(23)5-4-10-24-14-6-2-1-3-7-14/h1-7,11-13,23H,8-10H2,(H2,18,19,20)/b5-4+