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

Systemtic Name: 2-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 2-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 2-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[1-(2-azidoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 2-[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#CCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCN=[N+]=[N-])C3CNCCN3C(=O)O

Isomeric SMILES

CC#CCN1C(=NC2=C1C(=O)N(C(=O)N2C)CCN=[N+]=[N-])C3CNCCN3C(=O)O

InChI

InChI=1S/C17H21N9O4/c1-3-4-7-25-12-14(21-13(25)11-10-19-5-8-24(11)17(29)30)23(2)16(28)26(15(12)27)9-6-20-22-18/h11,19H,5-10H2,1-2H3,(H,29,30)