[3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentan-2-yl] methanesulfonate

Systemtic Name: [3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentan-2-yl] methanesulfonate Openeye Name: [1-methyl-2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-4-phenyl-butyl] methanesulfonate CAS Name: methanesulfonic acid [3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenylpentan-2-yl] ester IUPAC Name: [3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenylpentan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[6-keto-2-(2-propoxyphenyl)-3H-purin-9-yl]-1-methyl-4-phenyl-butyl] ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCC4=CC=CC=C4)C(C)OS(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCC4=CC=CC=C4)C(C)OS(=O)(=O)C

InChI

InChI=1S/C26H30N4O5S/c1-4-16-34-22-13-9-8-12-20(22)24-28-25-23(26(31)29-24)27-17-30(25)21(18(2)35-36(3,32)33)15-14-19-10-6-5-7-11-19/h5-13,17-18,21H,4,14-16H2,1-3H3,(H,28,29,31)