ethyl N-[3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propyl]carbamate

Systemtic Name: ethyl N-[3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propyl]carbamate Openeye Name: ethyl N-[3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propyl]carbamate CAS Name: N-[3-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]propyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]propyl]carbamate Traditional Name: N-[3-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]propyl]carbamic acid ethyl ester Formula: C22H24FN5O3S MolecularWeight: 457.521063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

Isomeric SMILES

CCOC(=O)NCCCN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN=CN=C3

InChI

InChI=1S/C22H24FN5O3S/c1-2-31-22(30)26-8-3-9-28-13-18(10-17-11-24-15-25-12-17)20(29)27-21(28)32-14-16-4-6-19(23)7-5-16/h4-7,11-13,15H,2-3,8-10,14H2,1H3,(H,26,30)