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

Systemtic Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloranyl-propan-1-one Openeye Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloro-propan-1-one CAS Name: 1-[4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-chloro-1-propanone IUPAC Name: 1-[4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloropropan-1-one Traditional Name: 1-[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-chloro-propan-1-one Formula: C24H31ClN6O MolecularWeight: 454.99554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)Cl

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C(C)Cl

InChI

InChI=1S/C24H31ClN6O/c1-4-5-12-20-26-22(29-13-9-14-30(16-15-29)24(32)17(2)25)21-18(3)28-31(23(21)27-20)19-10-7-6-8-11-19/h6-8,10-11,17H,4-5,9,12-16H2,1-3H3