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

Systemtic Name: 3-butyl-7-but-2-ynyl-9-methyl-8-piperazin-1-yl-8H-purine-2,6-dione Openeye Name: 3-butyl-7-but-2-ynyl-9-methyl-8-piperazin-1-yl-8H-purine-2,6-dione CAS Name: 3-butyl-7-but-2-ynyl-9-methyl-8-(1-piperazinyl)-8H-purine-2,6-dione IUPAC Name: 3-butyl-7-but-2-ynyl-9-methyl-8-piperazin-1-yl-8H-purine-2,6-dione Traditional Name: 3-butyl-7-but-2-ynyl-9-methyl-8-piperazino-8H-purine-2,6-quinone Formula: C18H28N6O2 MolecularWeight: 360.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(N2C)N3CCNCC3)CC#CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(N2C)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H28N6O2/c1-4-6-10-23-14-15(25)20-17(26)24(11-7-5-2)16(14)21(3)18(23)22-12-8-19-9-13-22/h18-19H,5,7-13H2,1-3H3,(H,20,25,26)