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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-(1-piperidyl)ethylsulfanyl]-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-piperidinyl)ethylthio]-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-piperidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-piperidinoethylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C18H21F2N5O2S MolecularWeight: 409.453446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(CC1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C18H21F2N5O2S/c19-12-5-4-11(10-13(12)20)16(26)22-14-15(21)23-18(24-17(14)27)28-9-8-25-6-2-1-3-7-25/h4-5,10H,1-3,6-9H2,(H,22,26)(H3,21,23,24,27)