1-(4-fluorophenyl)-3-(piperidin-4-ylmethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea

Systemtic Name: 1-(4-fluorophenyl)-3-(piperidin-4-ylmethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea Openeye Name: 1-(4-fluorophenyl)-1-[2-(isopropylamino)pyrimidin-4-yl]-3-(4-piperidylmethyl)urea CAS Name: 1-(4-fluorophenyl)-3-(4-piperidinylmethyl)-1-[2-(propan-2-ylamino)-4-pyrimidinyl]urea IUPAC Name: 1-(4-fluorophenyl)-3-(piperidin-4-ylmethyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea Traditional Name: 1-(4-fluorophenyl)-1-[2-(isopropylamino)pyrimidin-4-yl]-3-(4-piperidylmethyl)urea Formula: C20H27FN6O MolecularWeight: 386.466383

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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)NCC3CCNCC3

Isomeric SMILES

CC(C)NC1=NC=CC(=N1)N(C2=CC=C(C=C2)F)C(=O)NCC3CCNCC3

InChI

InChI=1S/C20H27FN6O/c1-14(2)25-19-23-12-9-18(26-19)27(17-5-3-16(21)4-6-17)20(28)24-13-15-7-10-22-11-8-15/h3-6,9,12,14-15,22H,7-8,10-11,13H2,1-2H3,(H,24,28)(H,23,25,26)