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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C2=[N+](C=NC(=C2)NC3=NC=C(S3)C#N)O

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C2=[N+](C=NC(=C2)NC3=NC=C(S3)C#N)O

InChI

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