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

Systemtic Name: 3-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C23H30N6O MolecularWeight: 406.5239

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C23H30N6O/c1-4-8-20-25-22(28-13-11-27(12-14-28)21(30)15-17(2)3)19-16-24-29(23(19)26-20)18-9-6-5-7-10-18/h5-7,9-10,16-17H,4,8,11-15H2,1-3H3