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

Systemtic Name: 1-dodecyl-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-dodecyl-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-dodecyl-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-dodecyl-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-lauryl-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

Isomeric SMILES

CCCCCCCCCCCCN1C=C(C(=O)NC1=S)CC2=CN=CN=C2

InChI

InChI=1S/C21H32N4OS/c1-2-3-4-5-6-7-8-9-10-11-12-25-16-19(20(26)24-21(25)27)13-18-14-22-17-23-15-18/h14-17H,2-13H2,1H3,(H,24,26,27)