4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]butanoic acid

Systemtic Name: 4-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]butanoic acid Openeye Name: 4-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]butanoic acid CAS Name: 4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]butanoic acid IUPAC Name: 4-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]butanoic acid Traditional Name: 4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)amino]butyric acid Formula: C12H17N5O4 MolecularWeight: 295.29448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCC(=O)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCCC(=O)O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H17N5O4/c1-15-8-9(16(2)12(21)17(3)10(8)20)14-11(15)13-6-4-5-7(18)19/h4-6H2,1-3H3,(H,13,14)(H,18,19)