N-(cyclopropylcarbamoyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-propanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-propanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)sulfanyl-propanamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[(2,4-dimethyl-5-phenyl-7-imidazo[1,5-b]pyridazinyl)thio]propanamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin-7-yl)sulfanylpropanamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[(2,4-dimethyl-5-phenyl-imidazo[1,5-b]pyridazin-7-yl)thio]propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN2C1=C(N=C2SC(C)C(=O)NC(=O)NC3CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN2C1=C(N=C2SC(C)C(=O)NC(=O)NC3CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H23N5O2S/c1-12-11-13(2)25-26-18(12)17(15-7-5-4-6-8-15)23-21(26)29-14(3)19(27)24-20(28)22-16-9-10-16/h4-8,11,14,16H,9-10H2,1-3H3,(H2,22,24,27,28)