1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-morpholinopropylamino)-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(3-morpholinopropylamino)xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCCCN4CCOCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H30N6O3/c1-16-5-7-17(8-6-16)15-28-18-19(25(2)22(30)26(3)20(18)29)24-21(28)23-9-4-10-27-11-13-31-14-12-27/h5-8H,4,9-15H2,1-3H3,(H,23,24)