[4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C24H26N6OS MolecularWeight: 446.56784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCCC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C24H26N6OS/c1-2-8-21-26-22(19-17-25-30(23(19)27-21)18-9-4-3-5-10-18)28-12-7-13-29(15-14-28)24(31)20-11-6-16-32-20/h3-6,9-11,16-17H,2,7-8,12-15H2,1H3