[5-methoxy-2-[2-(2-methylpropanoylamino)-6-prop-2-enoxy-purin-9-yl]-3-oxidanyl-oxan-4-yl] benzoate

Systemtic Name: [5-methoxy-2-[2-(2-methylpropanoylamino)-6-prop-2-enoxy-purin-9-yl]-3-oxidanyl-oxan-4-yl] benzoate Openeye Name: [2-[6-allyloxy-2-(2-methylpropanoylamino)purin-9-yl]-3-hydroxy-5-methoxy-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [3-hydroxy-5-methoxy-2-[2-[(2-methyl-1-oxopropyl)amino]-6-prop-2-enoxy-9-purinyl]-4-oxanyl] ester IUPAC Name: [3-hydroxy-5-methoxy-2-[2-(2-methylpropanoylamino)-6-prop-2-enoxypurin-9-yl]oxan-4-yl] benzoate Traditional Name: benzoic acid [2-[6-allyloxy-2-(isobutyrylamino)purin-9-yl]-3-hydroxy-5-methoxy-tetrahydropyran-4-yl] ester Formula: C25H29N5O7 MolecularWeight: 511.52706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(C(=N1)OCC=C)N=CN2C3C(C(C(CO3)OC)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(C(=N1)OCC=C)N=CN2C3C(C(C(CO3)OC)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H29N5O7/c1-5-11-35-22-17-20(27-25(29-22)28-21(32)14(2)3)30(13-26-17)23-18(31)19(16(34-4)12-36-23)37-24(33)15-9-7-6-8-10-15/h5-10,13-14,16,18-19,23,31H,1,11-12H2,2-4H3,(H,27,28,29,32)