1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone CAS Name: 1-[4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-2-methoxyethanone IUPAC Name: 1-[4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxyethanone Traditional Name: 1-[4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-methoxy-ethanone Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)COC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)C)N3CCCN(CC3)C(=O)COC)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6O2/c1-15-19-20(26-11-7-10-25(12-13-26)18(28)14-29-3)22-16(2)23-21(19)27(24-15)17-8-5-4-6-9-17/h4-6,8-9H,7,10-14H2,1-3H3