2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl)-N-cyclopropyl-acetamide CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-cyclopropylacetamide IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-cyclopropylacetamide Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl)-N-cyclopropyl-acetamide Formula: C26H31N7O3 MolecularWeight: 489.56944

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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)CC(=O)NC5CC5

Isomeric SMILES

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

InChI

InChI=1S/C26H31N7O3/c1-2-3-14-31-22-23(29-25(31)30-16-12-27-13-17-30)33(18-21(34)28-20-9-10-20)26(36)32(24(22)35)15-11-19-7-5-4-6-8-19/h4-8,20,27H,9-18H2,1H3,(H,28,34)