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

Systemtic Name: 1-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-3-(phthalazin-1-ylamino)urea Openeye Name: 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-3-(phthalazin-1-ylamino)urea CAS Name: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(1-phthalazinylamino)urea IUPAC Name: 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-3-(phthalazin-1-ylamino)urea Traditional Name: 1-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-3-(phthalazin-1-ylamino)urea Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-14(2)22-12-17(28)13-30-18-9-7-16(8-10-18)24-21(29)27-26-20-19-6-4-3-5-15(19)11-23-25-20/h3-11,14,17,22,28H,12-13H2,1-2H3,(H,25,26)(H2,24,27,29)