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

Systemtic Name: N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C17H21F2N5O2S MolecularWeight: 397.442746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CCN(CC)CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C17H21F2N5O2S/c1-3-24(4-2)7-8-27-17-22-14(20)13(16(26)23-17)21-15(25)10-5-6-11(18)12(19)9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,21,25)(H3,20,22,23,26)