3,3-dimethyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-[9-(phenylmethyl)-6-(prop-2-enylamino)-2-purinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[9-benzyl-6-(prop-2-enylamino)purin-2-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[6-(allylamino)-9-benzyl-purin-2-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=NC3=C(C(=N2)NCC=C)N=CN3CC4=CC=CC=C4

InChI

InChI=1S/C25H33N7O/c1-5-11-26-22-21-23(32(18-27-21)17-19-9-7-6-8-10-19)29-24(28-22)31-14-12-30(13-15-31)20(33)16-25(2,3)4/h5-10,18H,1,11-17H2,2-4H3,(H,26,28,29)