2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid Formula: C13H21N5O7 MolecularWeight: 359.33514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C(C(CO)(CO)N)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C9H10N4O4.C4H11NO3/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15;5-4(1-6,2-7)3-8/h4H,3H2,1-2H3,(H,14,15);6-8H,1-3,5H2