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

Systemtic Name: 3,7-dimethyl-8-(2-oxidanylpropylamino)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(2-hydroxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(2-hydroxypropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(2-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(2-hydroxypropylamino)-3,7-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O

Isomeric SMILES

CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3)O

InChI

InChI=1S/C17H21N5O3/c1-11(23)9-18-16-19-14-13(20(16)2)15(24)22(17(25)21(14)3)10-12-7-5-4-6-8-12/h4-8,11,23H,9-10H2,1-3H3,(H,18,19)