[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-(3-ethoxy-4-methoxy-phenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)OC

InChI

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