6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-phenoxyphenyl)amino]-1H-pyrimidin-4-one

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-phenoxyphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenoxyanilino)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-phenoxyanilino)-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-phenoxyanilino)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-phenoxyanilino)-1H-pyrimidin-4-one Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H18N4O2S2/c29-22-14-17(15-31-24-27-20-8-4-5-9-21(20)32-24)26-23(28-22)25-16-10-12-19(13-11-16)30-18-6-2-1-3-7-18/h1-14H,15H2,(H2,25,26,28,29)