1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3,5-dimethylphenyl)urea

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3,5-dimethylphenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3,5-dimethylphenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(3,5-dimethylphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3,5-dimethylphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(3,5-dimethylphenyl)urea Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-16-11-17(2)13-18(12-16)25-21(27)22-7-10-28-20-14-19(23-15-24-20)26-8-5-3-4-6-9-26/h11-15H,3-10H2,1-2H3,(H2,22,25,27)