2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromanyl-4-methoxy-phenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromanyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromo-4-methoxy-phenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3-bromo-4-methoxyphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-bromo-4-methoxyphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3-bromo-4-methoxy-phenyl)acetamide Formula: C13H13BrN4O3S MolecularWeight: 385.23632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)Br

InChI

InChI=1S/C13H13BrN4O3S/c1-21-9-3-2-7(4-8(9)14)16-12(20)6-22-13-17-10(15)5-11(19)18-13/h2-5H,6H2,1H3,(H,16,20)(H3,15,17,18,19)