2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-bromophenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(4-bromophenyl)propionamide Formula: C13H13BrN4O2S MolecularWeight: 369.23692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H13BrN4O2S/c1-7(21-13-17-10(15)6-11(19)18-13)12(20)16-9-4-2-8(14)3-5-9/h2-7H,1H3,(H,16,20)(H3,15,17,18,19)