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

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-1-phenethyl-8-piperazin-1-yl-purin-3-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-yl-purin-3-yl)-N-prop-2-ynyl-acetamide CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-(1-piperazinyl)-3-purinyl]-N-prop-2-ynylacetamide IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-1-phenethyl-8-piperazin-1-ylpurin-3-yl)-N-prop-2-ynylacetamide Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-phenethyl-8-piperazino-purin-3-yl)-N-propargyl-acetamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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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)NCC#C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N7O3/c1-3-5-15-31-22-23(29-25(31)30-17-13-27-14-18-30)33(19-21(34)28-12-4-2)26(36)32(24(22)35)16-11-20-9-7-6-8-10-20/h2,6-10,27H,11-19H2,1H3,(H,28,34)