4-azanyl-2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C14H11BrN4O2S MolecularWeight: 379.23174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11BrN4O2S/c1-21-12-3-2-8(4-10(12)15)11(20)7-22-14-18-6-9(5-16)13(17)19-14/h2-4,6H,7H2,1H3,(H2,17,18,19)