1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]urea

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(4-methylpiperazino)pyrimidin-4-yl]oxy-1-naphthyl]urea Formula: C31H36N6O3 MolecularWeight: 540.65594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)N5CCN(CC5)C

InChI

InChI=1S/C31H36N6O3/c1-31(2,3)21-10-12-27(39-5)25(20-21)34-30(38)33-24-11-13-26(23-9-7-6-8-22(23)24)40-28-14-15-32-29(35-28)37-18-16-36(4)17-19-37/h6-15,20H,16-19H2,1-5H3,(H2,33,34,38)