1,7-bis(2-hydroxyethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 1,7-bis(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 1,7-bis(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(2-hydroxyethyl)-3-methyl-xanthine Formula: C10H14N4O4 MolecularWeight: 254.24256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCO)N(C=N2)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCO)N(C=N2)CCO

InChI

InChI=1S/C10H14N4O4/c1-12-8-7(13(2-4-15)6-11-8)9(17)14(3-5-16)10(12)18/h6,15-16H,2-5H2,1H3