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

Systemtic Name: 7-but-2-ynyl-N-methyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purine-3-carboxamide Openeye Name: 7-but-2-ynyl-N-methyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purine-3-carboxamide CAS Name: 7-but-2-ynyl-N-methyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinecarboxamide IUPAC Name: 7-but-2-ynyl-N-methyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurine-3-carboxamide Traditional Name: 7-but-2-ynyl-2,6-diketo-N-methyl-1-phenethyl-8-piperazino-purine-3-carboxamide Formula: C23H27N7O3 MolecularWeight: 449.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7O3/c1-3-4-13-28-18-19(26-21(28)27-15-11-25-12-16-27)30(22(32)24-2)23(33)29(20(18)31)14-10-17-8-6-5-7-9-17/h5-9,25H,10-16H2,1-2H3,(H,24,32)