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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C17H17F2N5O3S MolecularWeight: 409.410386

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C17H17F2N5O3S/c18-10-4-3-9(7-11(10)19)15(26)21-13-14(20)22-17(23-16(13)27)28-8-12(25)24-5-1-2-6-24/h3-4,7H,1-2,5-6,8H2,(H,21,26)(H3,20,22,23,27)