2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(4-pyridylmethyl)acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-(4-pyridylmethyl)acetamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C19H18N4O2S/c24-17(21-12-14-6-8-20-9-7-14)10-16-11-18(25)23-19(22-16)26-13-15-4-2-1-3-5-15/h1-9,11H,10,12-13H2,(H,21,24)(H,22,23,25)