[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-(3-pyridyl)methanone CAS Name: [4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-(3-pyridyl)methanone Formula: C25H26N8O MolecularWeight: 454.52694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C25H26N8O/c1-2-10-27-22-21-23(33(18-28-21)17-19-7-4-3-5-8-19)30-25(29-22)32-14-12-31(13-15-32)24(34)20-9-6-11-26-16-20/h2-9,11,16,18H,1,10,12-15,17H2,(H,27,29,30)