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

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-butyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(3,3-dimethyl-2-oxo-butyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(3,3-dimethyl-2-oxobutyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-keto-3,3-dimethyl-butyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C21H32N6O3 MolecularWeight: 416.51718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O3/c1-14(2)7-10-26-16-17(23-19(26)25-11-8-22-9-12-25)24(6)20(30)27(18(16)29)13-15(28)21(3,4)5/h7,22H,8-13H2,1-6H3