5-[(4-methylphenyl)-piperidin-1-yl-methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-methylphenyl)-piperidin-1-yl-methyl]-6-oxidanyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[1-piperidyl(p-tolyl)methyl]-2-thioxo-1H-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(4-methylphenyl)-(1-piperidinyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-[(4-methylphenyl)-piperidin-1-ylmethyl]-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-[piperidino(p-tolyl)methyl]-2-thioxo-1H-pyrimidin-4-one Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=C(NC(=S)NC2=O)O)N3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=C(NC(=S)NC2=O)O)N3CCCCC3

InChI

InChI=1S/C17H21N3O2S/c1-11-5-7-12(8-6-11)14(20-9-3-2-4-10-20)13-15(21)18-17(23)19-16(13)22/h5-8,14H,2-4,9-10H2,1H3,(H3,18,19,21,22,23)