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

Systemtic Name: N-[6-azanyl-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-fluoranyl-benzamide Openeye Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluoro-benzamide CAS Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide IUPAC Name: N-[6-amino-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-fluorobenzamide Traditional Name: N-[6-amino-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidin-5-yl]-4-fluoro-benzamide Formula: C18H20FN5O3S MolecularWeight: 405.446503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN5O3S/c19-11-7-5-10(6-8-11)16(26)22-14-15(20)23-18(24-17(14)27)28-9-13(25)21-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,21,25)(H,22,26)(H3,20,23,24,27)