7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-morpholin-4-ylethylamino)-6-oxidanylidene-purin-2-olate

Systemtic Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-morpholin-4-ylethylamino)-6-oxidanylidene-purin-2-olate Openeye Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(2-morpholinoethylamino)-6-oxo-purin-2-olate CAS Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[2-(4-morpholinyl)ethylamino]-6-oxo-2-purinolate IUPAC Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(2-morpholin-4-ylethylamino)-6-oxopurin-2-olate Traditional Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-8-(2-morpholinoethylamino)purin-2-olate Formula: C23H31N6O5- MolecularWeight: 471.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2NCCN4CCOCC4)N(C(=NC3=O)[O-])C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@@H](CN2C3=C(N=C2NCCN4CCOCC4)N(C(=NC3=O)[O-])C)O)C

InChI

InChI=1S/C23H32N6O5/c1-15-4-5-18(12-16(15)2)34-14-17(30)13-29-19-20(27(3)23(32)26-21(19)31)25-22(29)24-6-7-28-8-10-33-11-9-28/h4-5,12,17,30H,6-11,13-14H2,1-3H3,(H,24,25)(H,26,31,32)/p-1/t17-/m1/s1