2-[4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazino]ethanol Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CN(CCN1CCO)C2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H20ClN5O/c19-16-5-2-14(3-6-16)1-4-15-13-21-18(20)22-17(15)24-9-7-23(8-10-24)11-12-25/h2-3,5-6,13,25H,7-12H2,(H2,20,21,22)