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

Systemtic Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)-1-prop-2-ynyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-(2-hydroxyethyl)-1-prop-2-ynyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)-1-prop-2-ynyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromophenyl)ethenyl]-3-(2-hydroxyethyl)-1-prop-2-ynyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromophenyl)vinyl]-3-(2-hydroxyethyl)-1-propargyl-7H-purine-2,6-quinone Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O3/c1-2-8-23-17(25)15-16(22(9-10-24)18(23)26)21-14(20-15)7-6-12-4-3-5-13(19)11-12/h1,3-7,11,24H,8-10H2,(H,20,21)/b7-6+