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

Systemtic Name: 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[6-[(5-cyano-2-thiazolyl)amino]-4-pyrimidinyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]piperazino]acetic acid Formula: C14H15N7O2S MolecularWeight: 345.3796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C2=CC(=NC=N2)NC3=NC=C(S3)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C2=CC(=NC=N2)NC3=NC=C(S3)C#N

InChI

InChI=1S/C14H15N7O2S/c15-6-10-7-16-14(24-10)19-11-5-12(18-9-17-11)21-3-1-20(2-4-21)8-13(22)23/h5,7,9H,1-4,8H2,(H,22,23)(H,16,17,18,19)