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

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(1,3-benzodioxol-5-yl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(1,3-benzodioxol-5-yl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(1,3-benzodioxol-5-yl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(1,3-benzodioxol-5-yl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(1,3-benzodioxol-5-yl)urea Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N5O4/c26-20(24-15-5-6-16-17(11-15)29-14-28-16)21-7-10-27-19-12-18(22-13-23-19)25-8-3-1-2-4-9-25/h5-6,11-13H,1-4,7-10,14H2,(H2,21,24,26)