7-but-2-ynyl-N-cyclopropyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purine-3-carboxamide

Systemtic Name: 7-but-2-ynyl-N-cyclopropyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purine-3-carboxamide Openeye Name: 7-but-2-ynyl-N-cyclopropyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purine-3-carboxamide CAS Name: 7-but-2-ynyl-N-cyclopropyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinecarboxamide IUPAC Name: 7-but-2-ynyl-N-cyclopropyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurine-3-carboxamide Traditional Name: 7-but-2-ynyl-N-cyclopropyl-2,6-diketo-1-phenethyl-8-piperazino-purine-3-carboxamide Formula: C25H29N7O3 MolecularWeight: 475.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C(=O)NC5CC5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C(=O)NC5CC5

InChI

InChI=1S/C25H29N7O3/c1-2-3-14-30-20-21(28-23(30)29-16-12-26-13-17-29)32(24(34)27-19-9-10-19)25(35)31(22(20)33)15-11-18-7-5-4-6-8-18/h4-8,19,26H,9-17H2,1H3,(H,27,34)