8-[1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[4-(4-methyl-1-piperazinyl)but-2-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[4-(4-methylpiperazino)but-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H32N8O2 MolecularWeight: 452.55258

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC#CCN4CCN(CC4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC#CCN4CCN(CC4)C

InChI

InChI=1S/C23H32N8O2/c1-4-8-30-21-19(22(32)31(9-5-2)23(30)33)25-20(26-21)18-16-24-29(17-18)11-7-6-10-28-14-12-27(3)13-15-28/h16-17H,4-5,8-15H2,1-3H3,(H,25,26)