8-bromanyl-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C17H19BrN4O4 MolecularWeight: 423.26116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2Br)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2Br)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C17H19BrN4O4/c1-3-10-4-6-12(7-5-10)26-9-11(23)8-22-13-14(19-16(22)18)21(2)17(25)20-15(13)24/h4-7,11,23H,3,8-9H2,1-2H3,(H,20,24,25)