N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyrimidin-5-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxidanylidene-pyrimidin-5-yl)methyl]-4-oxidanylidene-pyrimidin-1-yl]-N-methyl-ethanamide Openeye Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxo-pyrimidin-5-yl)methyl]-4-oxo-pyrimidin-1-yl]-N-methyl-acetamide CAS Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylthio]-5-[(1-methyl-2-oxo-5-pyrimidinyl)methyl]-4-oxo-1-pyrimidinyl]-N-methylacetamide IUPAC Name: N-dodecyl-2-[2-[(4-fluorophenyl)methylsulfanyl]-5-[(1-methyl-2-oxopyrimidin-5-yl)methyl]-4-oxopyrimidin-1-yl]-N-methylacetamide Traditional Name: 2-[2-[(4-fluorobenzyl)thio]-4-keto-5-[(2-keto-1-methyl-pyrimidin-5-yl)methyl]pyrimidin-1-yl]-N-lauryl-N-methyl-acetamide Formula: C32H44FN5O3S MolecularWeight: 597.786863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(C)C(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(C(=O)N=C3)C

Isomeric SMILES

CCCCCCCCCCCCN(C)C(=O)CN1C=C(C(=O)N=C1SCC2=CC=C(C=C2)F)CC3=CN(C(=O)N=C3)C

InChI

InChI=1S/C32H44FN5O3S/c1-4-5-6-7-8-9-10-11-12-13-18-36(2)29(39)23-38-22-27(19-26-20-34-31(41)37(3)21-26)30(40)35-32(38)42-24-25-14-16-28(33)17-15-25/h14-17,20-22H,4-13,18-19,23-24H2,1-3H3