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

Systemtic Name: morpholin-4-yl-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]methanone Openeye Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-morpholino-methanone CAS Name: 4-morpholinyl-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]methanone IUPAC Name: [4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-morpholino-methanone Formula: C24H30N8O2 MolecularWeight: 462.5474

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)N5CCOCC5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C24H30N8O2/c1-2-8-25-21-20-22(32(18-26-20)17-19-6-4-3-5-7-19)28-23(27-21)29-9-11-30(12-10-29)24(33)31-13-15-34-16-14-31/h2-7,18H,1,8-17H2,(H,25,27,28)