5-[(4-bromophenyl)methyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(4-bromophenyl)methyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-bromophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-bromophenyl)methyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-bromophenyl)methyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-bromobenzyl)-2-[4-(2-furoyl)piperazino]-6-methyl-1H-pyrimidin-4-one Formula: C21H21BrN4O3 MolecularWeight: 457.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3)CC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C(=O)C3=CC=CO3)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrN4O3/c1-14-17(13-15-4-6-16(22)7-5-15)19(27)24-21(23-14)26-10-8-25(9-11-26)20(28)18-3-2-12-29-18/h2-7,12H,8-11,13H2,1H3,(H,23,24,27)