N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-4-ethoxybenzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H20N4O3S/c1-2-27-15-10-8-14(9-11-15)18(25)22-16-17(21)23-20(24-19(16)26)28-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,22,25)(H3,21,23,24,26)