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-pyridin-2-ylsulfanyl-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-pyridin-2-ylsulfanyl-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-pyridylsulfanyl)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-pyridinylthio)-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-pyridin-2-ylsulfanylpurin-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-pyridylthio)purin-6-yl]amine Formula: C16H17N6O6PS MolecularWeight: 452.381541

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2C(COP(=O)(O2)O)OC1N3C4=C(C(=NC=N4)N)N=C3SC5=CC=CC=N5

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=C3SC5=CC=CC=N5

InChI

InChI=1S/C16H17N6O6PS/c1-25-12-11-8(6-26-29(23,24)28-11)27-15(12)22-14-10(13(17)19-7-20-14)21-16(22)30-9-4-2-3-5-18-9/h2-5,7-8,11-12,15H,6H2,1H3,(H,23,24)(H2,17,19,20)/t8-,11-,12-,15-/m1/s1