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

Systemtic Name: 1-[4-[2-azanyl-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]piperazino]ethanone Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H18ClN5O/c1-13(25)23-8-10-24(11-9-23)17-15(12-21-18(20)22-17)5-2-14-3-6-16(19)7-4-14/h3-4,6-7,12H,8-11H2,1H3,(H2,20,21,22)