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

Systemtic Name: 1-(1-adamantyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea Openeye Name: 1-(1-adamantyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea CAS Name: 1-(1-adamantyl)-3-[2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]urea IUPAC Name: 1-(1-adamantyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea Traditional Name: 1-(1-adamantyl)-3-[2-[4-(2-pyrimidyl)piperazino]ethyl]urea Formula: C21H32N6O MolecularWeight: 384.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CCNC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

InChI

InChI=1S/C21H32N6O/c28-20(25-21-13-16-10-17(14-21)12-18(11-16)15-21)24-4-5-26-6-8-27(9-7-26)19-22-2-1-3-23-19/h1-3,16-18H,4-15H2,(H2,24,25,28)