5-(6-aminopurin-9-yl)-2-methyl-4-(phenylmethylsulfanyl)oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-methyl-4-(phenylmethylsulfanyl)oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-4-benzylsulfanyl-2-methyl-tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-methyl-4-(phenylmethylthio)-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-4-benzylsulfanyl-2-methyloxolan-3-ol Traditional Name: 5-adenin-9-yl-4-(benzylthio)-2-methyl-tetrahydrofuran-3-ol Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)SCC4=CC=CC=C4)O

Isomeric SMILES

CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)SCC4=CC=CC=C4)O

InChI

InChI=1S/C17H19N5O2S/c1-10-13(23)14(25-7-11-5-3-2-4-6-11)17(24-10)22-9-21-12-15(18)19-8-20-16(12)22/h2-6,8-10,13-14,17,23H,7H2,1H3,(H2,18,19,20)