5-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one

Systemtic Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one Openeye Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenyl-2-thioxo-1H-pyrimidin-4-one CAS Name: 5-[(1-methyl-1-piperazin-1-iumyl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenyl-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 5-[(1-methylpiperazin-1-ium-1-yl)methyl]-6-phenyl-2-thioxo-1H-pyrimidin-4-one Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC2=C(NC(=S)NC2=O)C3=CC=CC=C3

Isomeric SMILES

C[N+]1(CCNCC1)CC2=C(NC(=S)NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4OS/c1-20(9-7-17-8-10-20)11-13-14(12-5-3-2-4-6-12)18-16(22)19-15(13)21/h2-6,17H,7-11H2,1H3,(H-,18,19,21,22)/p+1