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

Systemtic Name: 7-but-2-ynyl-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1,3-dimethyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1,3-dimethyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1,3-dimethyl-8-piperazino-xanthine Formula: C15H20N6O2 MolecularWeight: 316.3583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N6O2/c1-4-5-8-21-11-12(18(2)15(23)19(3)13(11)22)17-14(21)20-9-6-16-7-10-20/h16H,6-10H2,1-3H3