1-(1-adamantyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Openeye Name: 1-(1-adamantyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea CAS Name: 1-(1-adamantyl)-3-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-(1-adamantyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea Traditional Name: 1-(1-adamantyl)-3-[3-[4-(2-pyrimidyl)piperazino]propyl]urea Formula: C22H34N6O MolecularWeight: 398.54496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

InChI

InChI=1S/C22H34N6O/c29-21(26-22-14-17-11-18(15-22)13-19(12-17)16-22)25-5-2-6-27-7-9-28(10-8-27)20-23-3-1-4-24-20/h1,3-4,17-19H,2,5-16H2,(H2,25,26,29)