[(5S,7R)-3-bromanyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(5S,7R)-3-bromanyl-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [(5S,7R)-3-bromo-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [(5S,7R)-3-bromo-1-adamantyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [(5S,7R)-3-bromo-1-adamantyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H25BrN4O MolecularWeight: 405.332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C19H25BrN4O/c20-19-11-14-8-15(12-19)10-18(9-14,13-19)16(25)23-4-6-24(7-5-23)17-21-2-1-3-22-17/h1-3,14-15H,4-13H2/t14-,15+,18?,19?