7-but-2-ynyl-1-methyl-3-pentan-2-yl-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 7-but-2-ynyl-1-methyl-3-pentan-2-yl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-(1-methylbutyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-pentan-2-yl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-pentan-2-yl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-3-(1-methylbutyl)-8-piperazino-xanthine Formula: C19H28N6O2 MolecularWeight: 372.46462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCCC(C)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C19H28N6O2/c1-5-7-11-24-15-16(21-18(24)23-12-9-20-10-13-23)25(14(3)8-6-2)19(27)22(4)17(15)26/h14,20H,6,8-13H2,1-4H3