1-(5-chloranylthiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(2-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(2-pyrimidyl)piperazino]butane-1,4-dione Formula: C16H17ClN4O2S MolecularWeight: 364.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H17ClN4O2S/c17-14-4-3-13(24-14)12(22)2-5-15(23)20-8-10-21(11-9-20)16-18-6-1-7-19-16/h1,3-4,6-7H,2,5,8-11H2