hexyl 4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: hexyl 4-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid hexyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=O)N2

InChI

InChI=1S/C19H23N3O4S/c1-2-3-4-5-12-26-18(25)14-6-8-15(9-7-14)21-17(24)13-27-19-20-11-10-16(23)22-19/h6-11H,2-5,12-13H2,1H3,(H,21,24)(H,20,22,23)