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

Systemtic Name: 7-but-2-ynyl-3-(cyclobutylmethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-(cyclobutylmethyl)-1-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-(cyclobutylmethyl)-1-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-(cyclobutylmethyl)-1-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-(cyclobutylmethyl)-1-methyl-8-piperazino-xanthine Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCC4

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC4CCC4

InChI

InChI=1S/C19H26N6O2/c1-3-4-10-24-15-16(21-18(24)23-11-8-20-9-12-23)25(13-14-6-5-7-14)19(27)22(2)17(15)26/h14,20H,5-13H2,1-2H3