2-(6-oxidanylidene-3H-purin-7-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(6-oxidanylidene-3H-purin-7-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(6-oxo-3H-purin-7-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(6-oxo-3H-purin-7-yl)ethyl ester IUPAC Name: 2-(6-oxo-3H-purin-7-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(6-keto-3H-purin-7-yl)ethyl ester Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C(=O)N=CN3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C(=O)N=CN3

InChI

InChI=1S/C14H14N4O4S/c1-10-2-4-11(5-3-10)23(20,21)22-7-6-18-9-17-13-12(18)14(19)16-8-15-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,19)