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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-16-8-7-9-18(17(16)2)25-21(27)22-10-13-28-20-14-19(23-15-24-20)26-11-5-3-4-6-12-26/h7-9,14-15H,3-6,10-13H2,1-2H3,(H2,22,25,27)