[(E)-4-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] ethanoate

Systemtic Name: [(E)-4-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] ethanoate Openeye Name: [(E)-4-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] acetate CAS Name: acetic acid [(E)-4-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-purinyl]amino]-2-methylbut-2-enyl] ester IUPAC Name: [(E)-4-[[9-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]amino]-2-methylbut-2-enyl] acetate Traditional Name: acetic acid [(E)-4-[[9-[(3aR,4R,6R,6aR)-2-methoxy-6-methylol-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]amino]-2-methyl-but-2-enyl] ester Formula: C19H25N5O7 MolecularWeight: 435.4311

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3C4C(C(O3)CO)OC(O4)OC)COC(=O)C

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OC(O4)OC)/COC(=O)C

InChI

InChI=1S/C19H25N5O7/c1-10(7-28-11(2)26)4-5-20-16-13-17(22-8-21-16)24(9-23-13)18-15-14(12(6-25)29-18)30-19(27-3)31-15/h4,8-9,12,14-15,18-19,25H,5-7H2,1-3H3,(H,20,21,22)/b10-4+/t12-,14-,15-,18-,19?/m1/s1