N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(6-azanyl-2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(sec-butylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C15H16F2N4O2S MolecularWeight: 354.374946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C15H16F2N4O2S/c1-3-7(2)24-15-20-12(18)11(14(23)21-15)19-13(22)8-4-5-9(16)10(17)6-8/h4-7H,3H2,1-2H3,(H,19,22)(H3,18,20,21,23)