7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-purin-2-olate

Systemtic Name: 7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)-6-oxidanylidene-purin-2-olate Openeye Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(3-morpholinopropylamino)-6-oxo-purin-2-olate CAS Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[3-(4-morpholinyl)propylamino]-6-oxo-2-purinolate IUPAC Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)-6-oxopurin-2-olate Traditional Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-6-keto-3-methyl-8-(3-morpholinopropylamino)purin-2-olate Formula: C24H33N6O5- MolecularWeight: 485.55602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=NC3=O)[O-])C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=NC3=O)[O-])C)O

InChI

InChI=1S/C24H34N6O5/c1-3-17-6-4-7-19(14-17)35-16-18(31)15-30-20-21(28(2)24(33)27-22(20)32)26-23(30)25-8-5-9-29-10-12-34-13-11-29/h4,6-7,14,18,31H,3,5,8-13,15-16H2,1-2H3,(H,25,26)(H,27,32,33)/p-1/t18-/m1/s1