4-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(2-azidoethyl)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H21N9O4 MolecularWeight: 415.40654

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCN=[N+]=[N-])C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCN=[N+]=[N-])C

InChI

InChI=1S/C17H21N9O4/c1-3-4-6-25-12-13(20-15(25)23-8-10-24(11-9-23)17(29)30)22(2)16(28)26(14(12)27)7-5-19-21-18/h5-11H2,1-2H3,(H,29,30)