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

Systemtic Name: 7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-N-phenyl-8-piperazin-1-yl-purine-1-carboxamide Openeye Name: 7-but-2-ynyl-3-methyl-2,6-dioxo-N-phenyl-8-piperazin-1-yl-purine-1-carboxamide CAS Name: 7-but-2-ynyl-3-methyl-2,6-dioxo-N-phenyl-8-(1-piperazinyl)-1-purinecarboxamide IUPAC Name: 7-but-2-ynyl-3-methyl-2,6-dioxo-N-phenyl-8-piperazin-1-ylpurine-1-carboxamide Traditional Name: 7-but-2-ynyl-2,6-diketo-3-methyl-N-phenyl-8-piperazino-purine-1-carboxamide Formula: C21H23N7O3 MolecularWeight: 421.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N7O3/c1-3-4-12-27-16-17(24-19(27)26-13-10-22-11-14-26)25(2)21(31)28(18(16)29)20(30)23-15-8-6-5-7-9-15/h5-9,22H,10-14H2,1-2H3,(H,23,30)