3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one CAS Name: 3-phenyl-1-[4-(7H-purin-6-yl)-1-piperazinyl]-1-propanone IUPAC Name: 3-phenyl-1-[4-(7H-purin-6-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-phenyl-1-[4-(7H-purin-6-yl)piperazino]propan-1-one Formula: C18H20N6O MolecularWeight: 336.391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C18H20N6O/c25-15(7-6-14-4-2-1-3-5-14)23-8-10-24(11-9-23)18-16-17(20-12-19-16)21-13-22-18/h1-5,12-13H,6-11H2,(H,19,20,21,22)