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

Systemtic Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 7-but-2-ynyl-3-methyl-8-(1-piperazinyl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 7-but-2-ynyl-3-methyl-8-piperazin-1-yl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 7-but-2-ynyl-3-methyl-8-piperazino-1-propargyl-xanthine Formula: C17H20N6O2 MolecularWeight: 340.3797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2/c1-4-6-10-22-13-14(19-16(22)21-11-7-18-8-12-21)20(3)17(25)23(9-5-2)15(13)24/h2,18H,7-12H2,1,3H3