7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-8-(isopentylamino)-3-methyl-purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-8-(isoamylamino)-3-methyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1CCO)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H21N5O3/c1-8(2)4-5-14-12-15-10-9(18(12)6-7-19)11(20)16-13(21)17(10)3/h8,19H,4-7H2,1-3H3,(H,14,15)(H,16,20,21)