1,3-dimethyl-7-[2-oxidanyl-3-(1-oxidanylbutan-2-ylamino)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(1-oxidanylbutan-2-ylamino)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[1-(hydroxymethyl)propylamino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(1-hydroxybutan-2-ylamino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(1-methylolpropylamino)propyl]-1,3-dimethyl-xanthine Formula: C14H23N5O4 MolecularWeight: 325.36352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCC(CO)NCC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C14H23N5O4/c1-4-9(7-20)15-5-10(21)6-19-8-16-12-11(19)13(22)18(3)14(23)17(12)2/h8-10,15,20-21H,4-7H2,1-3H3