(2R)-2-azaniumyl-3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: (2R)-2-azaniumyl-3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: (2R)-2-ammonio-3-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)propanoate IUPAC Name: (2R)-2-azaniumyl-3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)propanoate Traditional Name: (2R)-2-ammonio-3-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)propionate Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC(C(=O)[O-])[NH3+]

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C11H15N5O4/c1-14-6(4-5(12)10(18)19)13-8-7(14)9(17)16(3)11(20)15(8)2/h5H,4,12H2,1-3H3,(H,18,19)/t5-/m1/s1