[5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylbenzoate

Systemtic Name: [5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylbenzoate Openeye Name: [5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2CCC(O2)N3C=NC4=C3NC=NC4=O

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2CCC(O2)N3C=NC4=C3NC=NC4=O

InChI

InChI=1S/C18H18N4O4/c1-11-4-2-3-5-13(11)18(24)25-8-12-6-7-14(26-12)22-10-21-15-16(22)19-9-20-17(15)23/h2-5,9-10,12,14H,6-8H2,1H3,(H,19,20,23)