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

Systemtic Name: [2-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentyl] methanesulfonate Openeye Name: [2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenylpentyl] ester IUPAC Name: [2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenylpentyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[6-keto-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentyl] 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(CCCC4=CC=CC=C4)COS(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)N(C=N3)C(CCCC4=CC=CC=C4)COS(=O)(=O)C

InChI

InChI=1S/C26H30N4O5S/c1-3-16-34-22-15-8-7-14-21(22)24-28-25-23(26(31)29-24)27-18-30(25)20(17-35-36(2,32)33)13-9-12-19-10-5-4-6-11-19/h4-8,10-11,14-15,18,20H,3,9,12-13,16-17H2,1-2H3,(H,28,29,31)