3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-isopropyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(1-propan-2-yl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1-propan-2-yltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(1-isopropyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C15H22N8OS MolecularWeight: 362.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)N1C(=NN=N1)SCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H22N8OS/c1-12(2)23-15(18-19-20-23)25-11-4-13(24)21-7-9-22(10-8-21)14-16-5-3-6-17-14/h3,5-6,12H,4,7-11H2,1-2H3