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

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2,4-dimethoxyphenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2,4-dimethoxyphenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(2,4-dimethoxyphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2,4-dimethoxyphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(2,4-dimethoxyphenyl)urea Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3)OC

InChI

InChI=1S/C21H29N5O4/c1-28-16-7-8-17(18(13-16)29-2)25-21(27)22-9-12-30-20-14-19(23-15-24-20)26-10-5-3-4-6-11-26/h7-8,13-15H,3-6,9-12H2,1-2H3,(H2,22,25,27)