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cyclopentyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

cyclopentyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name:cyclopentyl 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoate
Openeye Name:cyclopentyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate
CAS Name:2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid cyclopentyl ester
IUPAC Name:cyclopentyl 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetate
Traditional Name:2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetic acid cyclopentyl ester
Formula: C18H17N3O3S
MolecularWeight: 355.41088
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N


Isomeric SMILES

C1CCC(C1)OC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N


InChI

InChI=1S/C18H17N3O3S/c19-10-14-16(12-6-2-1-3-7-12)20-18(21-17(14)23)25-11-15(22)24-13-8-4-5-9-13/h1-3,6-7,13H,4-5,8-9,11H2,(H,20,21,23)


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