N-(oxolan-2-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: 4-pyrimidin-2-yl-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: 4-(2-pyrimidyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C14H21N5OS MolecularWeight: 307.41444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C14H21N5OS/c21-14(17-11-12-3-1-10-20-12)19-8-6-18(7-9-19)13-15-4-2-5-16-13/h2,4-5,12H,1,3,6-11H2,(H,17,21)