1-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]urea Openeye Name: 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxy-1-naphthyl]urea CAS Name: 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[[2-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]-1-naphthalenyl]urea IUPAC Name: 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)oxynaphthalen-1-yl]urea Traditional Name: 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-3-[4-(2-pyrrolidinopyrimidin-4-yl)oxy-1-naphthyl]urea Formula: C31H36N6O5S MolecularWeight: 604.71974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)N5CCCC5

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)N5CCCC5

InChI

InChI=1S/C31H36N6O5S/c1-31(2,3)20-18-24(28(41-4)25(19-20)36-43(5,39)40)34-30(38)33-23-12-13-26(22-11-7-6-10-21(22)23)42-27-14-15-32-29(35-27)37-16-8-9-17-37/h6-7,10-15,18-19,36H,8-9,16-17H2,1-5H3,(H2,33,34,38)