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

Systemtic Name: 2-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[4-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-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)N4CCCN(CC4)C(=O)C(C)C

Isomeric SMILES

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

InChI

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