3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid

Systemtic Name: 3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid Openeye Name: 3-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid CAS Name: 3-[4-[6-[(5-cyano-2-thiazolyl)amino]-4-pyrimidinyl]-1-piperazinyl]butanoic acid IUPAC Name: 3-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]butanoic acid Traditional Name: 3-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazino]butyric acid Formula: C16H19N7O2S MolecularWeight: 373.43276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)N1CCN(CC1)C2=CC(=NC=N2)NC3=NC=C(S3)C#N

Isomeric SMILES

CC(CC(=O)O)N1CCN(CC1)C2=CC(=NC=N2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C16H19N7O2S/c1-11(6-15(24)25)22-2-4-23(5-3-22)14-7-13(19-10-20-14)21-16-18-9-12(8-17)26-16/h7,9-11H,2-6H2,1H3,(H,24,25)(H,18,19,20,21)