6-(3-bromophenyl)-5-[(2-oxidanylnaphthalen-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 6-(3-bromophenyl)-5-[(2-oxidanylnaphthalen-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-(3-bromophenyl)-5-[(2-hydroxy-1-naphthyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-(3-bromophenyl)-5-[(2-hydroxy-1-naphthalenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-(3-bromophenyl)-5-[(2-hydroxynaphthalen-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-(3-bromophenyl)-5-[(2-hydroxy-1-naphthyl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C21H15BrN2O2S MolecularWeight: 439.325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=C2CC3=C(NC(=S)NC3=O)C4=CC(=CC=C4)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=C2CC3=C(NC(=S)NC3=O)C4=CC(=CC=C4)Br)O

InChI

InChI=1S/C21H15BrN2O2S/c22-14-6-3-5-13(10-14)19-17(20(26)24-21(27)23-19)11-16-15-7-2-1-4-12(15)8-9-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)