(3S,4R)-1-(6-aminopurin-9-yl)-4-phenylsulfanyl-hex-5-en-3-ol

Systemtic Name: (3S,4R)-1-(6-aminopurin-9-yl)-4-phenylsulfanyl-hex-5-en-3-ol Openeye Name: (3S,4R)-1-(6-aminopurin-9-yl)-4-phenylsulfanyl-hex-5-en-3-ol CAS Name: (3S,4R)-1-(6-aminopurin-9-yl)-4-(phenylthio)-5-hexen-3-ol IUPAC Name: (3S,4R)-1-(6-aminopurin-9-yl)-4-phenylsulfanylhex-5-en-3-ol Traditional Name: (3S,4R)-1-adenin-9-yl-4-(phenylthio)hex-5-en-3-ol Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(CCN1C=NC2=C1N=CN=C2N)O)SC3=CC=CC=C3

Isomeric SMILES

C=C[C@H]([C@H](CCN1C=NC2=C1N=CN=C2N)O)SC3=CC=CC=C3

InChI

InChI=1S/C17H19N5OS/c1-2-14(24-12-6-4-3-5-7-12)13(23)8-9-22-11-21-15-16(18)19-10-20-17(15)22/h2-7,10-11,13-14,23H,1,8-9H2,(H2,18,19,20)/t13-,14+/m0/s1