2-azanyl-3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]propanoic acid Openeye Name: 2-amino-3-(3,7-dimethyl-2,6-dioxo-purin-8-yl)propanoic acid CAS Name: 2-amino-3-(3,7-dimethyl-2,6-dioxo-8-purinyl)propanoic acid IUPAC Name: 2-amino-3-(3,7-dimethyl-2,6-dioxopurin-8-yl)propanoic acid Traditional Name: 2-amino-3-(2,6-diketo-3,7-dimethyl-purin-8-yl)propionic acid Formula: C10H13N5O4 MolecularWeight: 267.24132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O4/c1-14-5(3-4(11)9(17)18)12-7-6(14)8(16)13-10(19)15(7)2/h4H,3,11H2,1-2H3,(H,17,18)(H,13,16,19)