phenyl 2-[7-(2-methoxyethyl)-8-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[7-(2-methoxyethyl)-8-methyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propyl-purin-1-yl]ethanesulfonate CAS Name: 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propyl-1-purinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[7-(2-methoxyethyl)-8-methyl-2,6-dioxo-3-propylpurin-1-yl]ethanesulfonate Traditional Name: 2-[2,6-diketo-7-(2-methoxyethyl)-8-methyl-3-propyl-purin-1-yl]ethanesulfonic acid phenyl ester Formula: C20H26N4O6S MolecularWeight: 450.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCS(=O)(=O)OC3=CC=CC=C3)N(C(=N2)C)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCS(=O)(=O)OC3=CC=CC=C3)N(C(=N2)C)CCOC

InChI

InChI=1S/C20H26N4O6S/c1-4-10-23-18-17(22(11-13-29-3)15(2)21-18)19(25)24(20(23)26)12-14-31(27,28)30-16-8-6-5-7-9-16/h5-9H,4,10-14H2,1-3H3