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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

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