N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(5-bromopyrimidin-2-yl)piperazino]-3-keto-propyl]adamantane-1-carboxamide Formula: C22H30BrN5O2 MolecularWeight: 476.4099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN5O2/c23-18-13-25-21(26-14-18)28-5-3-27(4-6-28)19(29)1-2-24-20(30)22-10-15-7-16(11-22)9-17(8-15)12-22/h13-17H,1-12H2,(H,24,30)