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

Systemtic Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C21H26N6O/c1-15(2)13-19(28)25-9-11-26(12-10-25)20-18-14-22-27(17-7-5-4-6-8-17)21(18)24-16(3)23-20/h4-8,14-15H,9-13H2,1-3H3