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

Systemtic Name: 4-[1-(2-azanylethyl)-7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[1-(2-aminoethyl)-7-but-2-ynyl-2,6-diketo-3-methyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C17H23N7O4 MolecularWeight: 389.40902

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N7O4/c1-3-4-6-23-12-13(20(2)16(26)24(7-5-18)14(12)25)19-15(23)21-8-10-22(11-9-21)17(27)28/h5-11,18H2,1-2H3,(H,27,28)