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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-4-6-10-23-14-15(20-17(23)22-12-8-19-9-13-22)24(11-7-5-2)18(26)21(3)16(14)25/h5,7,19H,8-13H2,1-3H3/b7-5+