7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione Openeye Name: 8-benzyl-7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethyl-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-benzyl-7-[1-(2-hydroxyethylamino)butyl]-1,3-dimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(NCCO)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3

Isomeric SMILES

CCCC(NCCO)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3/c1-4-8-15(21-11-12-26)25-16(13-14-9-6-5-7-10-14)22-18-17(25)19(27)24(3)20(28)23(18)2/h5-7,9-10,15,21,26H,4,8,11-13H2,1-3H3