2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(2-thienylmethyl)propanamide CAS Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(2-thenyl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=CS4)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=CS4)C

InChI

InChI=1S/C21H21N5O2S/c1-13-18-14(2)25(16-8-5-4-6-9-16)24-19(18)21(28)26(23-13)15(3)20(27)22-12-17-10-7-11-29-17/h4-11,15H,12H2,1-3H3,(H,22,27)