1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3-fluoranyl-4-methyl-phenyl)urea

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3-fluoranyl-4-methyl-phenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(3-fluoro-4-methylphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3-fluoro-4-methyl-phenyl)urea Formula: C20H26FN5O2 MolecularWeight: 387.451143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)F

InChI

InChI=1S/C20H26FN5O2/c1-15-6-7-16(12-17(15)21)25-20(27)22-8-11-28-19-13-18(23-14-24-19)26-9-4-2-3-5-10-26/h6-7,12-14H,2-5,8-11H2,1H3,(H2,22,25,27)