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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[2-(1-pyrrolidinyl)ethylthio]-1H-pyrimidin-5-yl]-2-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-pyrrolidin-1-ylethylsulfanyl)-1H-pyrimidin-5-yl]-2-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyrrolidinoethylthio)-1H-pyrimidin-5-yl]-2-fluoro-benzamide Formula: C17H20FN5O2S MolecularWeight: 377.436403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CCN(C1)CCSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C17H20FN5O2S/c18-12-6-2-1-5-11(12)15(24)20-13-14(19)21-17(22-16(13)25)26-10-9-23-7-3-4-8-23/h1-2,5-6H,3-4,7-10H2,(H,20,24)(H3,19,21,22,25)