2-(4-phenylpiperazin-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one

Systemtic Name: 2-(4-phenylpiperazin-1-yl)-6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-phenylpiperazin-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one CAS Name: 2-(4-phenyl-1-piperazinyl)-6-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-phenylpiperazin-1-yl)-6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-phenylpiperazino)-6-[[(1-phenyltetrazol-5-yl)thio]methyl]-1H-pyrimidin-4-one Formula: C22H22N8OS MolecularWeight: 446.52808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)C=C(N3)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C22H22N8OS/c31-20-15-17(16-32-22-25-26-27-30(22)19-9-5-2-6-10-19)23-21(24-20)29-13-11-28(12-14-29)18-7-3-1-4-8-18/h1-10,15H,11-14,16H2,(H,23,24,31)