1-[2-(4-bromophenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[2-(4-bromophenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-(4-bromophenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-(4-bromophenyl)ethyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[2-(4-bromophenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[2-(4-bromophenyl)ethyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)Br

Isomeric SMILES

C1=CC(=CC=C1CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-15-3-1-12(2-4-15)5-6-22-10-14(16(23)21-17(22)24)7-13-8-19-11-20-9-13/h1-4,8-11H,5-7H2,(H,21,23,24)