8-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 8-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 8-methoxy-3-[4-(2-pyridyl)piperazine-1-carbonyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 8-methoxy-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 8-methoxy-3-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 8-methoxy-3-[4-(2-pyridyl)piperazine-1-carbonyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

COC1=CC2=C(C=C1)N3C(=O)C(=CN=C3S2)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C21H19N5O3S/c1-29-14-5-6-16-17(12-14)30-21-23-13-15(20(28)26(16)21)19(27)25-10-8-24(9-11-25)18-4-2-3-7-22-18/h2-7,12-13H,8-11H2,1H3