2-azanyl-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid Openeye Name: 2-amino-3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)propanoic acid CAS Name: 2-amino-3-(1,3,9-trimethyl-2,6-dioxo-8-purinyl)propanoic acid IUPAC Name: 2-amino-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)propanoic acid Traditional Name: 2-amino-3-(2,6-diketo-1,3,9-trimethyl-purin-8-yl)propionic acid Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N(C(=O)N(C2=O)C)C)CC(C(=O)O)N

Isomeric SMILES

CN1C(=NC2=C1N(C(=O)N(C2=O)C)C)CC(C(=O)O)N

InChI

InChI=1S/C11H15N5O4/c1-14-6(4-5(12)10(18)19)13-7-8(14)15(2)11(20)16(3)9(7)17/h5H,4,12H2,1-3H3,(H,18,19)