1,3-dimethyl-7-[2-[[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[[2-(3-methyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-[[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[2-hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[2-hydroxy-2-(4-hydroxy-3-methyl-phenyl)ethyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CNCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(CNCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)O

InChI

InChI=1S/C18H23N5O4/c1-11-8-12(4-5-13(11)24)14(25)9-19-6-7-23-10-20-16-15(23)17(26)22(3)18(27)21(16)2/h4-5,8,10,14,19,24-25H,6-7,9H2,1-3H3