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

Systemtic Name: 4-[7-but-2-ynyl-1-(2-hydroxyethyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-but-2-ynyl-1-(2-hydroxyethyl)-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-but-2-ynyl-1-(2-hydroxyethyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-but-2-ynyl-1-(2-hydroxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[7-but-2-ynyl-1-(2-hydroxyethyl)-2,6-diketo-3-methyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H22N6O5 MolecularWeight: 390.39378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCO)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCN(CC3)C(=O)O)N(C(=O)N(C2=O)CCO)C

InChI

InChI=1S/C17H22N6O5/c1-3-4-5-22-12-13(19(2)16(26)23(10-11-24)14(12)25)18-15(22)20-6-8-21(9-7-20)17(27)28/h24H,5-11H2,1-2H3,(H,27,28)