2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one

Systemtic Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-yl-pyrimidin-4-one Openeye Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-6-(4-pyridyl)pyrimidin-4-one CAS Name: 2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-methyl-6-pyridin-4-yl-4-pyrimidinone IUPAC Name: 2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one Traditional Name: 2-[4-(1,2-benzothiazol-3-yl)piperazino]-3-methyl-6-(4-pyridyl)pyrimidin-4-one Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCN(CC2)C3=NSC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCN(CC2)C3=NSC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C21H20N6OS/c1-25-19(28)14-17(15-6-8-22-9-7-15)23-21(25)27-12-10-26(11-13-27)20-16-4-2-3-5-18(16)29-24-20/h2-9,14H,10-13H2,1H3