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

Systemtic Name: 3,7-dimethyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-xanthine Formula: C10H15N5O3 MolecularWeight: 253.2578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C10H15N5O3/c1-14-6-7(12-9(14)11-4-3-5-16)15(2)10(18)13-8(6)17/h16H,3-5H2,1-2H3,(H,11,12)(H,13,17,18)