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

Systemtic Name: 7-[3-[[2-(4-hydroxyphenyl)-2-oxidanyl-ethyl]amino]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethyl-xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC=C(C=C3)O)O

Isomeric SMILES

CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC=C(C=C3)O)O

InChI

InChI=1S/C19H25N5O4/c1-12(20-10-15(26)13-4-6-14(25)7-5-13)8-9-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h4-7,11-12,15,20,25-26H,8-10H2,1-3H3