7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione

Systemtic Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-[2-(4-methoxyphenyl)ethyl]-3-methyl-8-(3-morpholinopropylamino)xanthine Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)CCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C22H30N6O4/c1-26-19-18(20(29)25-22(26)30)28(11-8-16-4-6-17(31-2)7-5-16)21(24-19)23-9-3-10-27-12-14-32-15-13-27/h4-7H,3,8-15H2,1-2H3,(H,23,24)(H,25,29,30)