1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2-ethylphenyl)urea

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2-ethylphenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2-ethylphenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(2-ethylphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2-ethylphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2-ethylphenyl)urea Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H29N5O2/c1-2-17-9-5-6-10-18(17)25-21(27)22-11-14-28-20-15-19(23-16-24-20)26-12-7-3-4-8-13-26/h5-6,9-10,15-16H,2-4,7-8,11-14H2,1H3,(H2,22,25,27)