2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC(=O)N3C4=CC=CC=C4SC3=N2

InChI

InChI=1S/C18H16N4O2S2/c1-2-5-11-8-15(23)21-17(19-11)25-10-12-9-16(24)22-13-6-3-4-7-14(13)26-18(22)20-12/h3-4,6-9H,2,5,10H2,1H3,(H,19,21,23)