9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(2-azanylethylsulfanyl)purin-6-amine

Systemtic Name: 9-[(4aR,6R,7R,7aR)-7-methoxy-2-oxidanyl-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(2-azanylethylsulfanyl)purin-6-amine Openeye Name: 9-[(4aR,6R,7R,7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(2-aminoethylsulfanyl)purin-6-amine CAS Name: 9-[(4aR,6R,7R,7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-8-(2-aminoethylthio)-6-purinamine IUPAC Name: 9-[(4aR,6R,7R,7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(2-aminoethylsulfanyl)purin-6-amine Traditional Name: [9-[(4aR,6R,7R,7aR)-2-hydroxy-2-keto-7-methoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl]-8-(2-aminoethylthio)purin-6-yl]amine Formula: C13H19N6O6PS MolecularWeight: 418.365321

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2C(COP(=O)(O2)O)OC1N3C4=C(C(=NC=N4)N)N=C3SCCN

Isomeric SMILES

CO[C@@H]1[C@H]2[C@@H](COP(=O)(O2)O)O[C@H]1N3C4=C(C(=NC=N4)N)N=C3SCCN

InChI

InChI=1S/C13H19N6O6PS/c1-22-9-8-6(4-23-26(20,21)25-8)24-12(9)19-11-7(10(15)16-5-17-11)18-13(19)27-3-2-14/h5-6,8-9,12H,2-4,14H2,1H3,(H,20,21)(H2,15,16,17)/t6-,8-,9-,12-/m1/s1