8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2,3-dihydrothiochromen-4-one

Systemtic Name: 8-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-2,3-dihydrothiochromen-4-one Openeye Name: 8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiochroman-4-one CAS Name: 8-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-2,3-dihydro-1-benzothiopyran-4-one IUPAC Name: 8-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2,3-dihydrothiochromen-4-one Traditional Name: 8-[4-(2-pyrimidyl)piperazine-1-carbonyl]thiochroman-4-one Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CSC2=C(C1=O)C=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H18N4O2S/c23-15-5-12-25-16-13(15)3-1-4-14(16)17(24)21-8-10-22(11-9-21)18-19-6-2-7-20-18/h1-4,6-7H,5,8-12H2