(2-bromanyl-5-methoxy-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-bromanyl-5-methoxy-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-bromo-5-methoxy-phenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: (2-bromo-5-methoxyphenyl)-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-bromo-5-methoxyphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: (2-bromo-5-methoxy-phenyl)-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C20H24BrN5O2 MolecularWeight: 446.34086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C20H24BrN5O2/c1-28-15-4-5-17(21)16(12-15)20(27)26-10-8-25(9-11-26)19-13-18(22-14-23-19)24-6-2-3-7-24/h4-5,12-14H,2-3,6-11H2,1H3