4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-5-methyl-pyridin-4-yl]methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-5-methyl-pyridin-4-yl]methyl]piperazine-1-carboxylic acid Openeye Name: 4-[[2-[(5-cyanothiazol-2-yl)amino]-5-methyl-4-pyridyl]methyl]piperazine-1-carboxylic acid CAS Name: 4-[[2-[(5-cyano-2-thiazolyl)amino]-5-methyl-4-pyridinyl]methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[[2-[(5-cyano-1,3-thiazol-2-yl)amino]-5-methylpyridin-4-yl]methyl]piperazine-1-carboxylic acid Traditional Name: 4-[[2-[(5-cyanothiazol-2-yl)amino]-5-methyl-4-pyridyl]methyl]piperazine-1-carboxylic acid Formula: C16H18N6O2S MolecularWeight: 358.41812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1CN2CCN(CC2)C(=O)O)NC3=NC=C(S3)C#N

Isomeric SMILES

CC1=CN=C(C=C1CN2CCN(CC2)C(=O)O)NC3=NC=C(S3)C#N

InChI

InChI=1S/C16H18N6O2S/c1-11-8-18-14(20-15-19-9-13(7-17)25-15)6-12(11)10-21-2-4-22(5-3-21)16(23)24/h6,8-9H,2-5,10H2,1H3,(H,23,24)(H,18,19,20)