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

Systemtic Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-3-methyl-1-butanone IUPAC Name: 1-[4-(6-ethyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(6-ethyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-3-methyl-butan-1-one Formula: C24H32N6O MolecularWeight: 420.55048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C24H32N6O/c1-5-20-25-23(29-13-9-12-28(14-15-29)21(31)16-17(2)3)22-18(4)27-30(24(22)26-20)19-10-7-6-8-11-19/h6-8,10-11,17H,5,9,12-16H2,1-4H3