N-tert-butyl-4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-tert-butyl-4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-tert-butyl-4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-tert-butyl-4-(3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-tert-butyl-4-(3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-tert-butyl-4-(3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C23H31N7O MolecularWeight: 421.53854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O/c1-16-19-20(28-12-9-13-29(15-14-28)22(31)26-23(3,4)5)24-17(2)25-21(19)30(27-16)18-10-7-6-8-11-18/h6-8,10-11H,9,12-15H2,1-5H3,(H,26,31)