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

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-1-propargyl-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)CC#C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-5-9-24-16(25)14-15(21(4)18(24)26)20-17(22-11-7-19-8-12-22)23(14)10-6-13(2)3/h1,6,19H,7-12H2,2-4H3