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

Systemtic Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-[(4-ethoxyphenyl)amino]-1H-pyrimidin-4-one Openeye Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-ethoxyanilino)-1H-pyrimidin-4-one CAS Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-ethoxyanilino)-1H-pyrimidin-4-one IUPAC Name: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(4-ethoxyanilino)-1H-pyrimidin-4-one Traditional Name: 6-[(1,3-benzothiazol-2-ylthio)methyl]-2-(p-phenetidino)-1H-pyrimidin-4-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S2/c1-2-26-15-9-7-13(8-10-15)21-19-22-14(11-18(25)24-19)12-27-20-23-16-5-3-4-6-17(16)28-20/h3-11H,2,12H2,1H3,(H2,21,22,24,25)