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

Systemtic Name: N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C22H18N4O2S MolecularWeight: 402.46892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C22H18N4O2S/c23-19-18(24-20(27)15-8-2-1-3-9-15)21(28)26-22(25-19)29-13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12H,13H2,(H,24,27)(H3,23,25,26,28)