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

Systemtic Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[4-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C22H28N6O/c1-16(2)14-20(29)26-10-7-11-27(13-12-26)21-19-15-23-28(18-8-5-4-6-9-18)22(19)25-17(3)24-21/h4-6,8-9,15-16H,7,10-14H2,1-3H3