1-[[5-[(4-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]urea

Systemtic Name: 1-[[5-[(4-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]urea Openeye Name: [[5-[(4-bromophenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-yl]methyleneamino]urea CAS Name: [[5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]urea IUPAC Name: [[5-[(4-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl]methylideneamino]urea Traditional Name: [[5-(4-bromobenzyl)-4-keto-2-thioxo-1H-pyrimidin-6-yl]methyleneamino]urea Formula: C13H12BrN5O2S MolecularWeight: 382.23568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=NNC(=O)N)Br

Isomeric SMILES

C1=CC(=CC=C1CC2=C(NC(=S)NC2=O)C=NNC(=O)N)Br

InChI

InChI=1S/C13H12BrN5O2S/c14-8-3-1-7(2-4-8)5-9-10(6-16-19-12(15)21)17-13(22)18-11(9)20/h1-4,6H,5H2,(H3,15,19,21)(H2,17,18,20,22)