7-(3-methylbutyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(3-methylbutyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-isopentyl-1-(2-morpholino-2-oxo-ethyl)purine-2,6-dione CAS Name: 7-(3-methylbutyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methylbutyl)-1-(2-morpholin-4-yl-2-oxoethyl)purine-2,6-dione Traditional Name: 3-benzyl-7-isoamyl-1-(2-keto-2-morpholino-ethyl)xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCOCC4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N4CCOCC4

InChI

InChI=1S/C23H29N5O4/c1-17(2)8-9-26-16-24-21-20(26)22(30)28(15-19(29)25-10-12-32-13-11-25)23(31)27(21)14-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3