2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pteridin-4-one

Systemtic Name: 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pteridin-4-one Openeye Name: 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1H-pteridin-4-one CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1H-pteridin-4-one IUPAC Name: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1H-pteridin-4-one Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1H-pteridin-4-one Formula: C14H9BrN4O2S MolecularWeight: 377.21586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=NC=CN=C3N2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=NC(=O)C3=NC=CN=C3N2)Br

InChI

InChI=1S/C14H9BrN4O2S/c15-9-3-1-8(2-4-9)10(20)7-22-14-18-12-11(13(21)19-14)16-5-6-17-12/h1-6H,7H2,(H,17,18,19,21)