S-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-methyl-3-oxidanyl-oxolan-2-yl]methyl] benzenecarbothioate

Systemtic Name: S-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-methyl-3-oxidanyl-oxolan-2-yl]methyl] benzenecarbothioate Openeye Name: S-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methyl-2-oxolanyl]methyl] ester IUPAC Name: S-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[[(2S,3S,4R,5R)-5-adenin-9-yl-3-hydroxy-4-methyl-tetrahydrofuran-2-yl]methyl] ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC1N2C=NC3=C2N=CN=C3N)CSC(=O)C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN=C3N)CSC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C18H19N5O3S/c1-10-14(24)12(7-27-18(25)11-5-3-2-4-6-11)26-17(10)23-9-22-13-15(19)20-8-21-16(13)23/h2-6,8-10,12,14,17,24H,7H2,1H3,(H2,19,20,21)/t10-,12-,14+,17-/m1/s1