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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C18H21BrN4O3/c1-3-26-16-14(19)11-13(12-15(16)25-2)17(24)22-7-9-23(10-8-22)18-20-5-4-6-21-18/h4-6,11-12H,3,7-10H2,1-2H3