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

Systemtic Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C20H28N8OS MolecularWeight: 428.55432

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SCCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SCCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C20H28N8OS/c29-17(25-11-13-26(14-12-25)18-21-7-3-8-22-18)6-15-30-20-24-23-19(27-9-1-2-10-27)28(20)16-4-5-16/h3,7-8,16H,1-2,4-6,9-15H2