ethyl 1-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 1-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclopropane-1-carboxylate Openeye Name: ethyl 1-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclopropanecarboxylate CAS Name: 1-[2-[(4-fluorophenyl)methylthio]-4-oxo-5-(5-pyrimidinylmethyl)-1-pyrimidinyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-5-(pyrimidin-5-ylmethyl)pyrimidin-1-yl]cyclopropane-1-carboxylate Traditional Name: 1-[2-[(4-fluorobenzyl)thio]-4-keto-5-(5-pyrimidylmethyl)pyrimidin-1-yl]cyclopropanecarboxylic acid ethyl ester Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

Isomeric SMILES

CCOC(=O)C1(CC1)N2C=C(C(=O)N=C2SCC3=CC=C(C=C3)F)CC4=CN=CN=C4

InChI

InChI=1S/C22H21FN4O3S/c1-2-30-20(29)22(7-8-22)27-12-17(9-16-10-24-14-25-11-16)19(28)26-21(27)31-13-15-3-5-18(23)6-4-15/h3-6,10-12,14H,2,7-9,13H2,1H3