3-bromanyl-2-[(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)-oxidanyl-methyl]-5-methyl-7-propan-2-yl-thieno[2,3-d]pyridazin-4-one

Systemtic Name: 3-bromanyl-2-[(3,5-dimethyl-1-pyridin-2-yl-pyrazol-4-yl)-oxidanyl-methyl]-5-methyl-7-propan-2-yl-thieno[2,3-d]pyridazin-4-one Openeye Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]-hydroxy-methyl]-7-isopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one CAS Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridinyl)-4-pyrazolyl]-hydroxymethyl]-5-methyl-7-propan-2-yl-4-thieno[2,3-d]pyridazinone IUPAC Name: 3-bromo-2-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-hydroxymethyl]-5-methyl-7-propan-2-ylthieno[2,3-d]pyridazin-4-one Traditional Name: 3-bromo-2-[[3,5-dimethyl-1-(2-pyridyl)pyrazol-4-yl]-hydroxy-methyl]-7-isopropyl-5-methyl-thieno[2,3-d]pyridazin-4-one Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=N2)C)C(C3=C(C4=C(S3)C(=NN(C4=O)C)C(C)C)Br)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=N2)C)C(C3=C(C4=C(S3)C(=NN(C4=O)C)C(C)C)Br)O

InChI

InChI=1S/C21H22BrN5O2S/c1-10(2)17-19-15(21(29)26(5)25-17)16(22)20(30-19)18(28)14-11(3)24-27(12(14)4)13-8-6-7-9-23-13/h6-10,18,28H,1-5H3