8-[5-(2-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-[5-(2-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-[5-(2-bromophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-[5-(2-bromophenyl)-2-furanyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-[5-(2-bromophenyl)furan-2-yl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-[5-(2-bromophenyl)-2-furyl]-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C21H21BrN4O4 MolecularWeight: 473.31984

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC=CC=C4Br)CCOC

InChI

InChI=1S/C21H21BrN4O4/c1-3-10-26-19-17(20(27)24-21(26)28)25(11-12-29-2)18(23-19)16-9-8-15(30-16)13-6-4-5-7-14(13)22/h4-9H,3,10-12H2,1-2H3,(H,24,27,28)