3-methyl-7-(3-methylbut-2-enyl)-1-(1-phenylpropan-2-yl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-phenylpropan-2-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-methyl-2-phenyl-ethyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-phenylpropan-2-yl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-phenylpropan-2-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-methyl-2-phenyl-ethyl)-8-piperazino-xanthine Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCNCC4)N(C2=O)C

Isomeric SMILES

CC(CC1=CC=CC=C1)N2C(=O)C3=C(N=C(N3CC=C(C)C)N4CCNCC4)N(C2=O)C

InChI

InChI=1S/C24H32N6O2/c1-17(2)10-13-29-20-21(26-23(29)28-14-11-25-12-15-28)27(4)24(32)30(22(20)31)18(3)16-19-8-6-5-7-9-19/h5-10,18,25H,11-16H2,1-4H3