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

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-ethoxyphenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-ethoxyphenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(4-ethoxyphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-ethoxyphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-p-phenetyl-urea Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H29N5O3/c1-2-28-18-9-7-17(8-10-18)25-21(27)22-11-14-29-20-15-19(23-16-24-20)26-12-5-3-4-6-13-26/h7-10,15-16H,2-6,11-14H2,1H3,(H2,22,25,27)