ethyl 2-[4-(3-azanyl-4-bromanyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(3-azanyl-4-bromanyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(3-amino-4-bromo-pyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(3-amino-4-bromo-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(3-amino-4-bromopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(3-amino-4-bromo-pyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C11H12BrN5O2S MolecularWeight: 358.21428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C(=N2)N)Br

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C(=N2)N)Br

InChI

InChI=1S/C11H12BrN5O2S/c1-2-19-9(18)6-20-11-14-4-3-8(15-11)17-5-7(12)10(13)16-17/h3-5H,2,6H2,1H3,(H2,13,16)