2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C15H17N5O5S MolecularWeight: 379.39098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C15H17N5O5S/c1-10-2-4-11(5-3-10)26(22,23)25-7-6-24-9-20-8-17-12-13(20)18-15(16)19-14(12)21/h2-5,8H,6-7,9H2,1H3,(H3,16,18,19,21)