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

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-(3-phenylpropyl)xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCC4=CC=CC=C4

InChI

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