1-(4-fluorophenyl)-3-(2-piperazin-1-ylethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea

Systemtic Name: 1-(4-fluorophenyl)-3-(2-piperazin-1-ylethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea Openeye Name: 1-(4-fluorophenyl)-1-[2-(isopropylamino)pyrimidin-4-yl]-3-(2-piperazin-1-ylethyl)urea CAS Name: 1-(4-fluorophenyl)-3-[2-(1-piperazinyl)ethyl]-1-[2-(propan-2-ylamino)-4-pyrimidinyl]urea IUPAC Name: 1-(4-fluorophenyl)-3-(2-piperazin-1-ylethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea Traditional Name: 1-(4-fluorophenyl)-1-[2-(isopropylamino)pyrimidin-4-yl]-3-(2-piperazinoethyl)urea Formula: C20H28FN7O MolecularWeight: 401.481023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=CC(=N1)N(C2=CC=C(C=C2)F)C(=O)NCCN3CCNCC3

Isomeric SMILES

CC(C)NC1=NC=CC(=N1)N(C2=CC=C(C=C2)F)C(=O)NCCN3CCNCC3

InChI

InChI=1S/C20H28FN7O/c1-15(2)25-19-23-8-7-18(26-19)28(17-5-3-16(21)4-6-17)20(29)24-11-14-27-12-9-22-10-13-27/h3-8,15,22H,9-14H2,1-2H3,(H,24,29)(H,23,25,26)