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

Systemtic Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(pyrimidin-1-ium-1-ylmethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea Openeye Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(pyrimidin-1-ium-1-ylmethylamino)pyrimidin-4-yl]oxy-1-naphthyl]urea CAS Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[[2-(1-pyrimidin-1-iumylmethylamino)-4-pyrimidinyl]oxy]-1-naphthalenyl]urea IUPAC Name: 1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[2-(pyrimidin-1-ium-1-ylmethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea Traditional Name: 1-(5-tert-butyl-2-methoxy-phenyl)-3-[4-[2-(pyrimidin-1-ium-1-ylmethylamino)pyrimidin-4-yl]oxy-1-naphthyl]urea Formula: C31H32N7O3+ MolecularWeight: 550.63088

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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)NC[N+]5=CC=CN=C5

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C3=CC=CC=C32)OC4=NC(=NC=C4)NC[N+]5=CC=CN=C5

InChI

InChI=1S/C31H31N7O3/c1-31(2,3)21-10-12-27(40-4)25(18-21)36-30(39)35-24-11-13-26(23-9-6-5-8-22(23)24)41-28-14-16-33-29(37-28)34-20-38-17-7-15-32-19-38/h5-19H,20H2,1-4H3,(H2-,33,34,35,36,37,39)/p+1