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-(1H-benzimidazol-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-(1H-benzimidazol-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-(1H-benzimidazol-2-ylsulfanyl)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-(1H-benzimidazol-2-ylthio)-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-(1H-benzimidazol-2-ylsulfanyl)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-(1H-benzimidazol-2-ylthio)purin-6-yl]amine Formula: C18H18N7O6PS MolecularWeight: 491.417581

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2C(COP(=O)(O2)O)OC1N3C4=C(C(=NC=N4)N)N=C3SC5=NC6=CC=CC=C6N5

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=NC6=CC=CC=C6N5

InChI

InChI=1S/C18H18N7O6PS/c1-28-13-12-10(6-29-32(26,27)31-12)30-16(13)25-15-11(14(19)20-7-21-15)24-18(25)33-17-22-8-4-2-3-5-9(8)23-17/h2-5,7,10,12-13,16H,6H2,1H3,(H,22,23)(H,26,27)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1