3,7-dimethyl-1-(phenylmethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 1-benzyl-8-(3-isopropoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 1-benzyl-8-(3-isopropoxypropylamino)-3,7-dimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

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