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

Systemtic Name: 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoic acid Openeye Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetic acid CAS Name: 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid IUPAC Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)acetic acid Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetic acid Formula: C16H20N6O4 MolecularWeight: 360.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O4/c1-3-4-7-21-12-13(18-15(21)20-8-5-17-6-9-20)19(2)16(26)22(14(12)25)10-11(23)24/h17H,5-10H2,1-2H3,(H,23,24)