N-(3,5-dimethoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dimethoxyphenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C17H21N5O2S/c1-23-14-10-13(11-15(12-14)24-2)20-17(25)22-8-6-21(7-9-22)16-18-4-3-5-19-16/h3-5,10-12H,6-9H2,1-2H3,(H,20,25)