1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(1,2,4-triazol-1-yl)-1-propanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-(1,2,4-triazol-1-yl)propan-1-one Formula: C13H17N7O MolecularWeight: 287.32038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC=N3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C=NC=N3

InChI

InChI=1S/C13H17N7O/c21-12(2-5-20-11-14-10-17-20)18-6-8-19(9-7-18)13-15-3-1-4-16-13/h1,3-4,10-11H,2,5-9H2