1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[3-(2-ketopyrrolidino)propyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C16H19N5O2S/c22-14-3-1-4-20(14)5-2-6-21-10-13(15(23)19-16(21)24)7-12-8-17-11-18-9-12/h8-11H,1-7H2,(H,19,23,24)