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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H18FN5O3S MolecularWeight: 391.419923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN5O3S/c18-11-5-3-10(4-6-11)15(25)20-13-14(19)21-17(22-16(13)26)27-9-12(24)23-7-1-2-8-23/h3-6H,1-2,7-9H2,(H,20,25)(H3,19,21,22,26)