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

Systemtic Name: N-[6-azanyl-2-(3-methylbutylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-2-isopentylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-2-(3-methylbutylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-2-(3-methylbutylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-2-(isoamylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C16H18F2N4O2S MolecularWeight: 368.401526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18F2N4O2S/c1-8(2)5-6-25-16-21-13(19)12(15(24)22-16)20-14(23)9-3-4-10(17)11(18)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,20,23)(H3,19,21,22,24)