7-but-2-ynyl-9-methyl-6-piperazin-1-yl-3H-purine-2,8-dione

Systemtic Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-3H-purine-2,8-dione Openeye Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-3H-purine-2,8-dione CAS Name: 7-but-2-ynyl-9-methyl-6-(1-piperazinyl)-3H-purine-2,8-dione IUPAC Name: 7-but-2-ynyl-9-methyl-6-piperazin-1-yl-3H-purine-2,8-dione Traditional Name: 7-but-2-ynyl-9-methyl-6-piperazino-3H-purine-2,8-quinone Formula: C14H18N6O2 MolecularWeight: 302.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(NC(=O)N=C2N3CCNCC3)N(C1=O)C

Isomeric SMILES

CC#CCN1C2=C(NC(=O)N=C2N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C14H18N6O2/c1-3-4-7-20-10-11(18(2)14(20)22)16-13(21)17-12(10)19-8-5-15-6-9-19/h15H,5-9H2,1-2H3,(H,16,17,21)