[4-(6-formamidopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(6-formamidopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(6-formamidopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(6-formamido-9-purinyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl ester IUPAC Name: [4-(6-formamidopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(6-formamidopurin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl ester Formula: C18H17N5O6S MolecularWeight: 431.42248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(O3)C(O2)N4C=NC5=C4N=CN=C5NC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2C3C(O3)C(O2)N4C=NC5=C4N=CN=C5NC=O

InChI

InChI=1S/C18H17N5O6S/c1-10-2-4-11(5-3-10)30(25,26)27-6-12-14-15(29-14)18(28-12)23-8-21-13-16(22-9-24)19-7-20-17(13)23/h2-5,7-9,12,14-15,18H,6H2,1H3,(H,19,20,22,24)