1,3-dimethyl-7-[1-(propan-2-ylamino)propan-2-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[1-(propan-2-ylamino)propan-2-yl]purine-2,6-dione Openeye Name: 7-[2-(isopropylamino)-1-methyl-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[1-(propan-2-ylamino)propan-2-yl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[1-(propan-2-ylamino)propan-2-yl]purine-2,6-dione Traditional Name: 7-[2-(isopropylamino)-1-methyl-ethyl]-1,3-dimethyl-xanthine Formula: C13H21N5O2 MolecularWeight: 279.33814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)NCC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H21N5O2/c1-8(2)14-6-9(3)18-7-15-11-10(18)12(19)17(5)13(20)16(11)4/h7-9,14H,6H2,1-5H3