6-[6-azanyl-8-(sulfanylmethyl)purin-9-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol

Systemtic Name: 6-[6-azanyl-8-(sulfanylmethyl)purin-9-yl]-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Openeye Name: 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol CAS Name: 6-[6-amino-8-(mercaptomethyl)-9-purinyl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol IUPAC Name: 6-[6-amino-8-(sulfanylmethyl)purin-9-yl]-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol Traditional Name: 6-[6-amino-8-(mercaptomethyl)purin-9-yl]-2-hydroxy-2-keto-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-7-ol Formula: C11H14N5O6PS MolecularWeight: 375.297521

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(C(O2)N3C(=NC4=C3N=CN=C4N)CS)O)OP(=O)(O1)O

Isomeric SMILES

C1C2C(C(C(O2)N3C(=NC4=C3N=CN=C4N)CS)O)OP(=O)(O1)O

InChI

InChI=1S/C11H14N5O6PS/c12-9-6-10(14-3-13-9)16(5(2-24)15-6)11-7(17)8-4(21-11)1-20-23(18,19)22-8/h3-4,7-8,11,17,24H,1-2H2,(H,18,19)(H2,12,13,14)