[4-[3-methyl-6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-methyl-6-(oxan-4-yl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-methyl-6-(4-oxanyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-methyl-6-(oxan-4-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(3-methyl-1-phenyl-6-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(2-thienyl)methanone Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C3CCOCC3)N4CCN(CC4)C(=O)C5=CC=CS5)C6=CC=CC=C6

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C3CCOCC3)N4CCN(CC4)C(=O)C5=CC=CS5)C6=CC=CC=C6

InChI

InChI=1S/C26H28N6O2S/c1-18-22-24(30-11-13-31(14-12-30)26(33)21-8-5-17-35-21)27-23(19-9-15-34-16-10-19)28-25(22)32(29-18)20-6-3-2-4-7-20/h2-8,17,19H,9-16H2,1H3