octyl 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: octyl 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: octyl 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)thio]acetic acid octyl ester IUPAC Name: octyl 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6,7-dihydropyrrolo[1,2-a]pyrimidin-4-yl)thio]acetic acid octyl ester Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CSC1=C(C=NC2=CCCN21)C#N

Isomeric SMILES

CCCCCCCCOC(=O)CSC1=C(C=NC2=CCCN21)C#N

InChI

InChI=1S/C18H25N3O2S/c1-2-3-4-5-6-7-11-23-17(22)14-24-18-15(12-19)13-20-16-9-8-10-21(16)18/h9,13H,2-8,10-11,14H2,1H3