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

Systemtic Name: N-[6-azanyl-2-(2-diethylaminoethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-(2-diethylaminoethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-(2-diethylaminoethylthio)-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C17H22FN5O2S MolecularWeight: 379.452283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN5O2S/c1-3-23(4-2)9-10-26-17-21-14(19)13(16(25)22-17)20-15(24)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)(H3,19,21,22,25)