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

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-ylethyl)-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-1,3-dimethyl-7-(2-morpholinoethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholinyl)ethyl]-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione Traditional Name: 8-benzyl-1,3-dimethyl-7-(2-morpholinoethyl)xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCN4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CCN4CCOCC4

InChI

InChI=1S/C20H25N5O3/c1-22-18-17(19(26)23(2)20(22)27)25(9-8-24-10-12-28-13-11-24)16(21-18)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3