ethyl 2-[4-(4,5,6,7-tetrahydroindazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(4,5,6,7-tetrahydroindazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4,5,6,7-tetrahydroindazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4,5,6,7-tetrahydroindazol-1-yl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4,5,6,7-tetrahydroindazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4,5,6,7-tetrahydroindazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C3=C(CCCC3)C=N2

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C3=C(CCCC3)C=N2

InChI

InChI=1S/C15H18N4O2S/c1-2-21-14(20)10-22-15-16-8-7-13(18-15)19-12-6-4-3-5-11(12)9-17-19/h7-9H,2-6,10H2,1H3