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

Systemtic Name: 7-(2-azanyl-1-morpholin-4-yl-ethyl)-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 7-(2-amino-1-morpholino-ethyl)-8-benzyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-amino-1-(4-morpholinyl)ethyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-(2-amino-1-morpholin-4-ylethyl)-8-benzyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-amino-1-morpholino-ethyl)-8-benzyl-1,3-dimethyl-xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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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)C(CN)N4CCOCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)C(CN)N4CCOCC4

InChI

InChI=1S/C20H26N6O3/c1-23-18-17(19(27)24(2)20(23)28)26(16(13-21)25-8-10-29-11-9-25)15(22-18)12-14-6-4-3-5-7-14/h3-7,16H,8-13,21H2,1-2H3