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

Systemtic Name: 7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-N-phenyl-8-piperazin-1-yl-purine-3-carboxamide Openeye Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-N-phenyl-8-piperazin-1-yl-purine-3-carboxamide CAS Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-N-phenyl-8-(1-piperazinyl)-3-purinecarboxamide IUPAC Name: 7-but-2-ynyl-2,6-dioxo-1-phenethyl-N-phenyl-8-piperazin-1-ylpurine-3-carboxamide Traditional Name: 7-but-2-ynyl-2,6-diketo-1-phenethyl-N-phenyl-8-piperazino-purine-3-carboxamide Formula: C28H29N7O3 MolecularWeight: 511.57496

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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)NC5=CC=CC=C5

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C28H29N7O3/c1-2-3-17-33-23-24(31-26(33)32-19-15-29-16-20-32)35(27(37)30-22-12-8-5-9-13-22)28(38)34(25(23)36)18-14-21-10-6-4-7-11-21/h4-13,29H,14-20H2,1H3,(H,30,37)