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

Systemtic Name: [3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]-6-phenyl-hexan-2-yl] methanesulfonate Openeye Name: [1-methyl-2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-5-phenyl-pentyl] methanesulfonate CAS Name: methanesulfonic acid [3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-6-phenylhexan-2-yl] ester IUPAC Name: [3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]-6-phenylhexan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [2-[6-keto-2-(2-propoxyphenyl)-3H-purin-9-yl]-1-methyl-5-phenyl-pentyl] ester Formula: C27H32N4O5S MolecularWeight: 524.63178

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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)C(C)OS(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O5S/c1-4-17-35-23-16-9-8-14-21(23)25-29-26-24(27(32)30-25)28-18-31(26)22(19(2)36-37(3,33)34)15-10-13-20-11-6-5-7-12-20/h5-9,11-12,14,16,18-19,22H,4,10,13,15,17H2,1-3H3,(H,29,30,32)