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

Systemtic Name: 3-methyl-8-piperazin-1-yl-7-prop-2-enyl-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-piperazin-1-yl-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3-methyl-8-(1-piperazinyl)-7-prop-2-enyl-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3-methyl-8-piperazin-1-yl-7-prop-2-enyl-1-prop-2-ynylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-piperazino-1-propargyl-xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)N3CCNCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#C)N(C(=N2)N3CCNCC3)CC=C

InChI

InChI=1S/C16H20N6O2/c1-4-8-21-12-13(18-15(21)20-10-6-17-7-11-20)19(3)16(24)22(9-5-2)14(12)23/h2,4,17H,1,6-11H2,3H3