3-ethyl-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea

Systemtic Name: 3-ethyl-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea Openeye Name: 3-ethyl-1-(4-fluorophenyl)-1-[2-(tetrahydropyran-4-ylamino)pyrimidin-4-yl]urea CAS Name: 3-ethyl-1-(4-fluorophenyl)-1-[2-(4-oxanylamino)-4-pyrimidinyl]urea IUPAC Name: 3-ethyl-1-(4-fluorophenyl)-1-[2-(oxan-4-ylamino)pyrimidin-4-yl]urea Traditional Name: 3-ethyl-1-(4-fluorophenyl)-1-[2-(tetrahydropyran-4-ylamino)pyrimidin-4-yl]urea Formula: C18H22FN5O2 MolecularWeight: 359.397983

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C1=CC=C(C=C1)F)C2=NC(=NC=C2)NC3CCOCC3

Isomeric SMILES

CCNC(=O)N(C1=CC=C(C=C1)F)C2=NC(=NC=C2)NC3CCOCC3

InChI

InChI=1S/C18H22FN5O2/c1-2-20-18(25)24(15-5-3-13(19)4-6-15)16-7-10-21-17(23-16)22-14-8-11-26-12-9-14/h3-7,10,14H,2,8-9,11-12H2,1H3,(H,20,25)(H,21,22,23)