5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-1-undecyl-pyrimidin-4-one

Systemtic Name: 5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-1-undecyl-pyrimidin-4-one Openeye Name: 5-(pyrimidin-5-ylmethyl)-2-thioxo-1-undecyl-pyrimidin-4-one CAS Name: 5-(5-pyrimidinylmethyl)-2-sulfanylidene-1-undecyl-4-pyrimidinone IUPAC Name: 5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-1-undecylpyrimidin-4-one Traditional Name: 5-(5-pyrimidylmethyl)-2-thioxo-1-undecyl-pyrimidin-4-one Formula: C20H30N4OS MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C20H30N4OS/c1-2-3-4-5-6-7-8-9-10-11-24-15-18(19(25)23-20(24)26)12-17-13-21-16-22-14-17/h13-16H,2-12H2,1H3,(H,23,25,26)