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

Systemtic Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-methyl-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-methyl-1-propargyl-7H-purine-2,6-quinone Formula: C17H13BrN4O2 MolecularWeight: 385.21472

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#C)NC(=N2)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O2/c1-3-9-22-16(23)14-15(21(2)17(22)24)20-13(19-14)8-7-11-5-4-6-12(18)10-11/h1,4-8,10H,9H2,2H3,(H,19,20)/b8-7+