2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-oxidanyl-piperazin-4-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-oxidanyl-piperazin-4-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]-4-hydroxy-piperazin-4-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[6-[(5-cyano-2-thiazolyl)amino]-4-pyrimidinyl]-4-hydroxy-1-piperazin-4-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[6-[(5-cyano-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]-4-hydroxypiperazin-4-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[6-[(5-cyanothiazol-2-yl)amino]pyrimidin-4-yl]-4-hydroxy-piperazin-4-ium-1-yl]-N-isopropyl-acetamide Formula: C17H23N8O2S+ MolecularWeight: 403.48192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CC[N+](CC1)(C2=NC=NC(=C2)NC3=NC=C(S3)C#N)O

Isomeric SMILES

CC(C)NC(=O)CN1CC[N+](CC1)(C2=NC=NC(=C2)NC3=NC=C(S3)C#N)O

InChI

InChI=1S/C17H22N8O2S/c1-12(2)22-16(26)10-24-3-5-25(27,6-4-24)15-7-14(20-11-21-15)23-17-19-9-13(8-18)28-17/h7,9,11-12,27H,3-6,10H2,1-2H3,(H-,19,20,21,22,23,26)/p+1