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

Systemtic Name: 7-but-2-ynyl-3-(3,3-dimethyl-2-oxidanylidene-butyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(3,3-dimethyl-2-oxo-butyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(3,3-dimethyl-2-oxobutyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(2-keto-3,3-dimethyl-butyl)-1-methyl-8-piperazino-xanthine Formula: C20H28N6O3 MolecularWeight: 400.47472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O3/c1-6-7-10-25-15-16(22-18(25)24-11-8-21-9-12-24)26(13-14(27)20(2,3)4)19(29)23(5)17(15)28/h21H,8-13H2,1-5H3