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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1NC2=NC=C(S2)C#N)CN3CCN(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1NC2=NC=C(S2)C#N)CN3CCN(CC3)C(=O)O

InChI

InChI=1S/C16H18N6O2S/c1-11-12(10-21-4-6-22(7-5-21)16(23)24)2-3-18-14(11)20-15-19-9-13(8-17)25-15/h2-3,9H,4-7,10H2,1H3,(H,23,24)(H,18,19,20)