7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(3-morpholinopropylamino)xanthine Formula: C24H34N6O5 MolecularWeight: 486.56396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@@H](CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)NC3=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)/t18-/m1/s1