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

Systemtic Name: N-butyl-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-butyl-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide CAS Name: N-butyl-4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-butyl-4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-butyl-4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-carboxamide Formula: C24H33N7O MolecularWeight: 435.56512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

Isomeric SMILES

CCCCNC(=O)N1CCCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CCC

InChI

InChI=1S/C24H33N7O/c1-3-5-13-25-24(32)30-15-9-14-29(16-17-30)22-20-18-26-31(19-11-7-6-8-12-19)23(20)28-21(27-22)10-4-2/h6-8,11-12,18H,3-5,9-10,13-17H2,1-2H3,(H,25,32)