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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O3/c1-20-14-13(15(24)21(2)17(20)25)22(11-12-7-4-3-5-8-12)16(19-14)18-9-6-10-23/h3-5,7-8,23H,6,9-11H2,1-2H3,(H,18,19)