5-[(4-bromophenyl)methyl]-2-(4-butoxyphenyl)-4-oxidanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-(4-butoxyphenyl)-4-oxidanyl-1H-pyrimidin-6-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-(4-butoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-[(4-bromophenyl)methyl]-2-(4-butoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one IUPAC Name: 5-[(4-bromophenyl)methyl]-2-(4-butoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 5-(4-bromobenzyl)-2-(4-butoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Br)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=C(C(=O)N2)CC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H21BrN2O3/c1-2-3-12-27-17-10-6-15(7-11-17)19-23-20(25)18(21(26)24-19)13-14-4-8-16(22)9-5-14/h4-11H,2-3,12-13H2,1H3,(H2,23,24,25,26)