1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(5-bromopyrimidin-2-yl)piperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C20H25BrN4O4 MolecularWeight: 465.3409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)C3=NC=C(C=N3)Br

InChI

InChI=1S/C20H25BrN4O4/c1-27-16-10-14(11-17(28-2)19(16)29-3)4-5-18(26)24-6-8-25(9-7-24)20-22-12-15(21)13-23-20/h10-13H,4-9H2,1-3H3