[(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-oxidanyl-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate

Systemtic Name: [(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-oxidanyl-2-oxidanylidene-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate Openeye Name: [(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate CAS Name: butanoic acid [(3aR,4R,6R,6aR)-2-hydroxy-2-oxo-4-[6-(1-oxobutylamino)-9-purinyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl ester IUPAC Name: [(3aR,4R,6R,6aR)-4-[6-(butanoylamino)purin-9-yl]-2-hydroxy-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl butanoate Traditional Name: butyric acid [(3aR,4R,6R,6aR)-4-(6-butyramidopurin-9-yl)-2-hydroxy-2-keto-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-6-yl]methyl ester Formula: C18H24N5O8P MolecularWeight: 469.385621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC=NC2=C1N=CN2C3C4C(C(O3)COC(=O)CCC)OP(=O)(O4)O

Isomeric SMILES

CCCC(=O)NC1=NC=NC2=C1N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)COC(=O)CCC)OP(=O)(O4)O

InChI

InChI=1S/C18H24N5O8P/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15-14(30-32(26,27)31-15)10(29-18)7-28-12(25)6-4-2/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24)/t10-,14-,15-,18-/m1/s1