2-[[2-[(2-azanyl-2-methyl-propyl)-methyl-amino]-3-but-2-ynyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-[(2-azanyl-2-methyl-propyl)-methyl-amino]-3-but-2-ynyl-4-oxidanylidene-imidazo[4,5-d]pyridazin-5-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-[(2-amino-2-methyl-propyl)-methyl-amino]-3-but-2-ynyl-4-oxo-imidazo[4,5-d]pyridazin-5-yl]methyl]benzonitrile CAS Name: 2-[[2-[(2-amino-2-methylpropyl)-methylamino]-3-but-2-ynyl-4-oxo-5-imidazo[4,5-d]pyridazinyl]methyl]benzonitrile IUPAC Name: 2-[[2-[(2-amino-2-methylpropyl)-methylamino]-3-but-2-ynyl-4-oxoimidazo[4,5-d]pyridazin-5-yl]methyl]benzonitrile Traditional Name: 2-[[2-[(2-amino-2-methyl-propyl)-methyl-amino]-3-but-2-ynyl-4-keto-imidazo[4,5-d]pyridazin-5-yl]methyl]benzonitrile Formula: C22H25N7O MolecularWeight: 403.4802

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC=C3C#N)N=C1N(C)CC(C)(C)N

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=CC=CC=C3C#N)N=C1N(C)CC(C)(C)N

InChI

InChI=1S/C22H25N7O/c1-5-6-11-28-19-18(26-21(28)27(4)15-22(2,3)24)13-25-29(20(19)30)14-17-10-8-7-9-16(17)12-23/h7-10,13H,11,14-15,24H2,1-4H3