1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-(4-morpholinyl)propylamino]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(3-morpholinopropylamino)xanthine Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O3/c1-24-18-17(19(28)25(2)21(24)29)27(15-16-7-4-3-5-8-16)20(23-18)22-9-6-10-26-11-13-30-14-12-26/h3-5,7-8H,6,9-15H2,1-2H3,(H,22,23)