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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C17H13F2N5O2S MolecularWeight: 389.379226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CN=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H13F2N5O2S/c18-11-4-3-10(6-12(11)19)15(25)22-13-14(20)23-17(24-16(13)26)27-8-9-2-1-5-21-7-9/h1-7H,8H2,(H,22,25)(H3,20,23,24,26)