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

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-isobutyl-8-(3-isopropoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-methylpropyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-isobutyl-8-(3-isopropoxypropylamino)-1,3-dimethyl-xanthine Formula: C17H29N5O3 MolecularWeight: 351.44386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCCCOC(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NCCCOC(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H29N5O3/c1-11(2)10-22-13-14(20(5)17(24)21(6)15(13)23)19-16(22)18-8-7-9-25-12(3)4/h11-12H,7-10H2,1-6H3,(H,18,19)