1-[4-(4-azanyl-3-chloranyl-phenoxy)pyridin-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-[4-(4-azanyl-3-chloranyl-phenoxy)pyridin-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea Openeye Name: 1-[4-(4-amino-3-chloro-phenoxy)-2-pyridyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea CAS Name: 1-[4-(4-amino-3-chlorophenoxy)-2-pyridinyl]-3-[3-(4-methyl-1-piperazinyl)propyl]urea IUPAC Name: 1-[4-(4-amino-3-chlorophenoxy)pyridin-2-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea Traditional Name: 1-[4-(4-amino-3-chloro-phenoxy)-2-pyridyl]-3-[3-(4-methylpiperazino)propyl]urea Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)N)Cl

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)NC2=NC=CC(=C2)OC3=CC(=C(C=C3)N)Cl

InChI

InChI=1S/C20H27ClN6O2/c1-26-9-11-27(12-10-26)8-2-6-24-20(28)25-19-14-16(5-7-23-19)29-15-3-4-18(22)17(21)13-15/h3-5,7,13-14H,2,6,8-12,22H2,1H3,(H2,23,24,25,28)