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

Systemtic Name: 7-but-2-ynyl-1-methyl-3-(2-methylprop-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-1-methyl-3-(2-methylallyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-but-2-ynyl-1-methyl-3-(2-methylprop-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-but-2-ynyl-1-methyl-3-(2-methylprop-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-1-methyl-3-(2-methylallyl)-8-piperazino-xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-5-6-9-23-14-15(20-17(23)22-10-7-19-8-11-22)24(12-13(2)3)18(26)21(4)16(14)25/h19H,2,7-12H2,1,3-4H3