2-[[4-(1H-indazol-3-ylcarbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(1H-indazol-3-ylcarbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[1H-indazol-3-yl(oxo)methyl]-1-piperazinyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(1H-indazole-3-carbonyl)piperazino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C4=NNC5=CC=CC=C54)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=O)C4=NNC5=CC=CC=C54)C

InChI

InChI=1S/C21H22N6O2S/c1-12-13(2)30-20-17(12)19(28)22-16(23-20)11-26-7-9-27(10-8-26)21(29)18-14-5-3-4-6-15(14)24-25-18/h3-6H,7-11H2,1-2H3,(H,24,25)(H,22,23,28)