8-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-oxidanylpropyl)-1-prop-2-ynyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-oxidanylpropyl)-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-(3-hydroxypropyl)-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxypropyl)-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxypropyl)-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-(3-hydroxypropyl)-1-propargyl-7H-purine-2,6-quinone Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2=C(N=C(N2)C=CC3=CC(=CC=C3)Br)N(C1=O)CCCO

Isomeric SMILES

C#CCN1C(=O)C2=C(N=C(N2)/C=C/C3=CC(=CC=C3)Br)N(C1=O)CCCO

InChI

InChI=1S/C19H17BrN4O3/c1-2-9-24-18(26)16-17(23(19(24)27)10-4-11-25)22-15(21-16)8-7-13-5-3-6-14(20)12-13/h1,3,5-8,12,25H,4,9-11H2,(H,21,22)/b8-7+