3-(3,3-dimethyl-2-oxidanylidene-butyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-(3,3-dimethyl-2-oxobutyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-(3,3-dimethyl-2-oxobutyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-7-(3-methylbut-2-enyl)-1-phenethyl-8-piperazino-xanthine Formula: C28H38N6O3 MolecularWeight: 506.63972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)C(C)(C)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)CC(=O)C(C)(C)C)C

InChI

InChI=1S/C28H38N6O3/c1-20(2)11-15-32-23-24(30-26(32)31-17-13-29-14-18-31)34(19-22(35)28(3,4)5)27(37)33(25(23)36)16-12-21-9-7-6-8-10-21/h6-11,29H,12-19H2,1-5H3