3-methyl-1-[4-[6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[6-methyl-1-(3-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-[6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]butan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-15(2)12-20(29)26-8-10-27(11-9-26)21-19-14-23-28(22(19)25-17(4)24-21)18-7-5-6-16(3)13-18/h5-7,13-15H,8-12H2,1-4H3