[2,2-dimethyl-4-(6-oxidanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methoxybenzoate

Systemtic Name: [2,2-dimethyl-4-(6-oxidanylidene-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methoxybenzoate Openeye Name: [2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester IUPAC Name: [2,2-dimethyl-4-(6-oxo-3H-purin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-(6-keto-3H-purin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester Formula: C21H22N4O7 MolecularWeight: 442.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=O)COC(=O)C5=CC=C(C=C5)OC)C

Isomeric SMILES

CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=O)COC(=O)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C21H22N4O7/c1-21(2)31-15-13(8-29-20(27)11-4-6-12(28-3)7-5-11)30-19(16(15)32-21)25-10-24-14-17(25)22-9-23-18(14)26/h4-7,9-10,13,15-16,19H,8H2,1-3H3,(H,22,23,26)