1-(2-piperidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(2-piperidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-(1-piperidyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-(1-piperidinyl)ethyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(2-piperidin-1-ylethyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(2-piperidinoethyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1CCN(CC1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C16H21N5OS/c22-15-14(8-13-9-17-12-18-10-13)11-21(16(23)19-15)7-6-20-4-2-1-3-5-20/h9-12H,1-8H2,(H,19,22,23)