1-butyl-3-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]urea

Systemtic Name: 1-butyl-3-[3-cyano-5-methyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazin-6-yl]urea Openeye Name: 1-butyl-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea CAS Name: 1-butyl-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinyl]urea IUPAC Name: 1-butyl-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea Traditional Name: 1-butyl-3-[3-cyano-5-methyl-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazin-6-yl]urea Formula: C26H26N6O2 MolecularWeight: 454.52364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)NC1=CN2C(=C1C)C(=C(C=N2)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H26N6O2/c1-3-4-14-28-26(33)31-23-17-32-25(18(23)2)24(19(15-27)16-29-32)30-20-10-12-22(13-11-20)34-21-8-6-5-7-9-21/h5-13,16-17,30H,3-4,14H2,1-2H3,(H2,28,31,33)