N-(1,3-benzothiazol-2-yl)-2-[5-butyl-1-(3,4-dimethylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[5-butyl-1-(3,4-dimethylphenyl)-6-oxidanyl-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[5-butyl-1-(3,4-dimethylphenyl)-6-hydroxy-4-oxo-pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[5-butyl-1-(3,4-dimethylphenyl)-6-hydroxy-4-oxo-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[5-butyl-1-(3,4-dimethylphenyl)-6-hydroxy-4-oxopyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[5-butyl-1-(3,4-dimethylphenyl)-6-hydroxy-4-keto-pyrimidin-2-yl]thio]acetamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)C)C)O

Isomeric SMILES

CCCCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC(=C(C=C4)C)C)O

InChI

InChI=1S/C25H26N4O3S2/c1-4-5-8-18-22(31)28-25(29(23(18)32)17-12-11-15(2)16(3)13-17)33-14-21(30)27-24-26-19-9-6-7-10-20(19)34-24/h6-7,9-13,32H,4-5,8,14H2,1-3H3,(H,26,27,30)