N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[1-(4-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[5-benzyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: N-(4-bromophenyl)-2-[[6-hydroxy-1-(4-methoxyphenyl)-4-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: 2-[5-benzyl-6-hydroxy-1-(4-methoxyphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[5-benzyl-6-hydroxy-4-keto-1-(4-methoxyphenyl)pyrimidin-2-yl]thio]-N-(4-bromophenyl)acetamide Formula: C26H22BrN3O4S MolecularWeight: 552.43958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=O)N=C2SCC(=O)NC3=CC=C(C=C3)Br)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H22BrN3O4S/c1-34-21-13-11-20(12-14-21)30-25(33)22(15-17-5-3-2-4-6-17)24(32)29-26(30)35-16-23(31)28-19-9-7-18(27)8-10-19/h2-14,33H,15-16H2,1H3,(H,28,31)