8-(3-bromanyl-4-methoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(3-bromanyl-4-methoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(3-bromo-4-methoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(3-bromo-4-methoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-(3-bromo-4-methoxyphenyl)-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(3-bromo-4-methoxy-phenyl)-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C18H21BrN4O4 MolecularWeight: 437.28774

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC(=C(C=C3)OC)Br)CCOC

InChI

InChI=1S/C18H21BrN4O4/c1-4-7-23-16-14(17(24)21-18(23)25)22(8-9-26-2)15(20-16)11-5-6-13(27-3)12(19)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,21,24,25)