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

Systemtic Name: ethyl 2-[4-[3-(1-methylpyrrol-2-yl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-[3-(1-methylpyrrol-2-yl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-[3-(1-methyl-2-pyrrolyl)-1-pyrazolyl]-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-(1-methylpyrrol-2-yl)pyrazol-1-yl]pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-[3-(1-methylpyrrol-2-yl)pyrazol-1-yl]pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=CC(=N2)C3=CC=CN3C

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=CC(=N2)C3=CC=CN3C

InChI

InChI=1S/C16H17N5O2S/c1-3-23-15(22)11-24-16-17-8-6-14(18-16)21-10-7-12(19-21)13-5-4-9-20(13)2/h4-10H,3,11H2,1-2H3