1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-phenylpropyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3-phenylpropyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3-phenylpropyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c23-17-16(9-15-10-19-13-20-11-15)12-22(18(24)21-17)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,10-13H,4,7-9H2,(H,21,23,24)