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

Systemtic Name: 7-butan-2-yl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-(3,3-dimethyl-2-oxo-butyl)-1-methyl-8-piperazin-1-yl-7-sec-butyl-purine-2,6-dione CAS Name: 7-butan-2-yl-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-butan-2-yl-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-(2-keto-3,3-dimethyl-butyl)-1-methyl-8-piperazino-7-sec-butyl-xanthine Formula: C20H32N6O3 MolecularWeight: 404.50648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)C(C)(C)C

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)C(C)(C)C

InChI

InChI=1S/C20H32N6O3/c1-7-13(2)26-15-16(22-18(26)24-10-8-21-9-11-24)25(12-14(27)20(3,4)5)19(29)23(6)17(15)28/h13,21H,7-12H2,1-6H3