8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(4-bromophenyl)-1-prop-2-ynyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(4-bromophenyl)-1-propargyl-7H-xanthine Formula: C14H9BrN4O2 MolecularWeight: 345.15086

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C#CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C14H9BrN4O2/c1-2-7-19-13(20)10-12(18-14(19)21)17-11(16-10)8-3-5-9(15)6-4-8/h1,3-6H,7H2,(H,16,17)(H,18,21)