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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C17H19F2N5O2S MolecularWeight: 395.426866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H19F2N5O2S/c18-11-4-3-10(9-12(11)19)15(25)21-13-14(20)22-17(23-16(13)26)27-8-7-24-5-1-2-6-24/h3-4,9H,1-2,5-8H2,(H,21,25)(H3,20,22,23,26)