(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C16H17BrN4O3 MolecularWeight: 393.23518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)Br)O

InChI

InChI=1S/C16H17BrN4O3/c1-24-13-10-11(9-12(17)14(13)22)15(23)20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8H2,1H3