3-(3-aminocarbonylpyridin-1-ium-1-yl)-2-(6-aminopurin-9-yl)propanoate

Systemtic Name: 3-(3-aminocarbonylpyridin-1-ium-1-yl)-2-(6-aminopurin-9-yl)propanoate Openeye Name: 2-(6-aminopurin-9-yl)-3-(3-carbamoylpyridin-1-ium-1-yl)propanoate CAS Name: 2-(6-aminopurin-9-yl)-3-(3-carbamoyl-1-pyridin-1-iumyl)propanoate IUPAC Name: 2-(6-aminopurin-9-yl)-3-(3-carbamoylpyridin-1-ium-1-yl)propanoate Traditional Name: 2-adenin-9-yl-3-(3-carbamoylpyridin-1-ium-1-yl)propionate Formula: C14H13N7O3 MolecularWeight: 327.29812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC(C(=O)[O-])N2C=NC3=C2N=CN=C3N)C(=O)N

Isomeric SMILES

C1=CC(=C[N+](=C1)CC(C(=O)[O-])N2C=NC3=C2N=CN=C3N)C(=O)N

InChI

InChI=1S/C14H13N7O3/c15-11-10-13(18-6-17-11)21(7-19-10)9(14(23)24)5-20-3-1-2-8(4-20)12(16)22/h1-4,6-7,9H,5H2,(H4-,15,16,17,18,22,23,24)