1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(5-chloranyl-2-methoxy-phenyl)urea

Systemtic Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(5-chloranyl-2-methoxy-phenyl)urea Openeye Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(5-chloro-2-methoxy-phenyl)urea CAS Name: 1-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(5-chloro-2-methoxyphenyl)urea IUPAC Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(5-chloro-2-methoxyphenyl)urea Traditional Name: 1-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(5-chloro-2-methoxy-phenyl)urea Formula: C20H26ClN5O3 MolecularWeight: 419.90514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C20H26ClN5O3/c1-28-17-7-6-15(21)12-16(17)25-20(27)22-8-11-29-19-13-18(23-14-24-19)26-9-4-2-3-5-10-26/h6-7,12-14H,2-5,8-11H2,1H3,(H2,22,25,27)