2-[[4-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[4-[[4-(2-oxidanylethanoyl)piperazin-1-yl]methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[[4-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-2-pyridyl]amino]thiazole-5-carbonitrile CAS Name: 2-[[4-[[4-(2-hydroxy-1-oxoethyl)-1-piperazinyl]methyl]-2-pyridinyl]amino]-5-thiazolecarbonitrile IUPAC Name: 2-[[4-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]pyridin-2-yl]amino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[[4-[(4-glycoloylpiperazino)methyl]-2-pyridyl]amino]thiazole-5-carbonitrile Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)CO

Isomeric SMILES

C1CN(CCN1CC2=CC(=NC=C2)NC3=NC=C(S3)C#N)C(=O)CO

InChI

InChI=1S/C16H18N6O2S/c17-8-13-9-19-16(25-13)20-14-7-12(1-2-18-14)10-21-3-5-22(6-4-21)15(24)11-23/h1-2,7,9,23H,3-6,10-11H2,(H,18,19,20)