N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-2-(naphthalen-1-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(1-naphthylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(1-naphthalenylmethylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(naphthalen-1-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(1-naphthylmethylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C22H16F2N4O2S MolecularWeight: 438.449846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC(=O)C(=C(N3)N)NC(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H16F2N4O2S/c23-16-9-8-13(10-17(16)24)20(29)26-18-19(25)27-22(28-21(18)30)31-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H,26,29)(H3,25,27,28,30)