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

Systemtic Name: 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetamide CAS Name: 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetamide Traditional Name: N-benzyl-2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetamide 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)CC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CC(=O)NCC4=CC=CC=C4)C

InChI

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