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

Systemtic Name: cyclopropyl-[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]-cyclopropyl-methanone CAS Name: cyclopropyl-[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]-cyclopropylmethanone Traditional Name: [4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-cyclopropyl-methanone Formula: C23H27N7O MolecularWeight: 417.50678

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)C5CC5

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CC3=CC=CC=C3)N4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C23H27N7O/c1-2-10-24-20-19-21(30(16-25-19)15-17-6-4-3-5-7-17)27-23(26-20)29-13-11-28(12-14-29)22(31)18-8-9-18/h2-7,16,18H,1,8-15H2,(H,24,26,27)