(2S,3S,4R)-5-(6-azanyl-2-phenylsulfanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R)-5-(6-azanyl-2-phenylsulfanyl-purin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R)-5-(6-amino-2-phenylsulfanyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R)-5-[6-amino-2-(phenylthio)-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R)-5-(6-amino-2-phenylsulfanylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: (2S,3S,4R)-5-[6-amino-2-(phenylthio)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3N)SC4=CC=CC=C4)O)O

Isomeric SMILES

CCNC(=O)[C@@H]1[C@H]([C@H](C(O1)N2C=NC3=C2N=C(N=C3N)SC4=CC=CC=C4)O)O

InChI

InChI=1S/C18H20N6O4S/c1-2-20-16(27)13-11(25)12(26)17(28-13)24-8-21-10-14(19)22-18(23-15(10)24)29-9-6-4-3-5-7-9/h3-8,11-13,17,25-26H,2H2,1H3,(H,20,27)(H2,19,22,23)/t11-,12+,13-,17?/m0/s1