1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-3-(phthalazin-1-ylamino)urea

Systemtic Name: 1-[4-[3-(tert-butylamino)-2-oxidanyl-propoxy]phenyl]-3-(phthalazin-1-ylamino)urea Openeye Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-(phthalazin-1-ylamino)urea CAS Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1-phthalazinylamino)urea IUPAC Name: 1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(phthalazin-1-ylamino)urea Traditional Name: 1-[4-[3-(tert-butylamino)-2-hydroxy-propoxy]phenyl]-3-(phthalazin-1-ylamino)urea Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NNC2=NN=CC3=CC=CC=C32)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)NC(=O)NNC2=NN=CC3=CC=CC=C32)O

InChI

InChI=1S/C22H28N6O3/c1-22(2,3)23-13-17(29)14-31-18-10-8-16(9-11-18)25-21(30)28-27-20-19-7-5-4-6-15(19)12-24-26-20/h4-12,17,23,29H,13-14H2,1-3H3,(H,26,27)(H2,25,28,30)