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

Systemtic Name: [4-[6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-methyl-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC(=N3)C)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC(=N3)C)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H22N6OS/c1-15-5-3-6-17(13-15)28-21-18(14-23-28)20(24-16(2)25-21)26-8-10-27(11-9-26)22(29)19-7-4-12-30-19/h3-7,12-14H,8-11H2,1-2H3