(2S)-N-aminocarbonyl-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-3-methyl-butanamide

Systemtic Name: (2S)-N-aminocarbonyl-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-3-methyl-butanamide Openeye Name: (2S)-N-carbamoyl-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-3-methyl-butanamide CAS Name: (2S)-N-carbamoyl-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]-3-methylbutanamide IUPAC Name: (2S)-N-carbamoyl-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanyl-3-methylbutanamide Traditional Name: (2S)-N-carbamoyl-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]-3-methyl-butyramide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SC(C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2S[C@@H](C(C)C)C(=O)NC(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5O2S/c1-11(2)17(18(26)23-19(21)27)28-20-22-15(14-8-6-5-7-9-14)16-12(3)10-13(4)24-25(16)20/h5-11,17H,1-4H3,(H3,21,23,26,27)/t17-/m0/s1