2-azanylpropanoic acid; 1,3,7-trimethylpurine-2,6-dione

Systemtic Name: 2-azanylpropanoic acid; 1,3,7-trimethylpurine-2,6-dione Openeye Name: 2-aminopropanoic acid; 1,3,7-trimethylpurine-2,6-dione CAS Name: 2-aminopropanoic acid; 1,3,7-trimethylpurine-2,6-dione IUPAC Name: 2-aminopropanoic acid; 1,3,7-trimethylpurine-2,6-dione Traditional Name: 2-aminopropionic acid; caffeine Formula: C14H24N6O6 MolecularWeight: 372.37696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N.CC(C(=O)O)N.CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)O)N.CC(C(=O)O)N.CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C8H10N4O2.2C3H7NO2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;2*1-2(4)3(5)6/h4H,1-3H3;2*2H,4H2,1H3,(H,5,6)