3-[1-methyl-2,6-bis(oxidanylidene)-8-phenyl-3H-purin-9-yl]propyl methanesulfonate

Systemtic Name: 3-[1-methyl-2,6-bis(oxidanylidene)-8-phenyl-3H-purin-9-yl]propyl methanesulfonate Openeye Name: 3-(1-methyl-2,6-dioxo-8-phenyl-3H-purin-9-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 3-(1-methyl-2,6-dioxo-8-phenyl-3H-purin-9-yl)propyl ester IUPAC Name: 3-(1-methyl-2,6-dioxo-8-phenyl-3H-purin-9-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 3-(2,6-diketo-1-methyl-8-phenyl-3H-purin-9-yl)propyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCCOS(=O)(=O)C

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCCOS(=O)(=O)C

InChI

InChI=1S/C16H18N4O5S/c1-19-15(21)12-14(18-16(19)22)20(9-6-10-25-26(2,23)24)13(17-12)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,18,22)