3-[1-(3-azanyl-3-oxidanylidene-propyl)-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[1-(3-azanyl-3-oxidanylidene-propyl)-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[1-(3-amino-3-oxo-propyl)-4,6-dimethyl-2-oxo-pyrimidin-5-yl]propanoic acid CAS Name: 3-[1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxo-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid Traditional Name: 3-[1-(3-amino-3-keto-propyl)-2-keto-4,6-dimethyl-pyrimidin-5-yl]propionic acid Formula: C12H17N3O4 MolecularWeight: 267.28108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1CCC(=O)N)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1CCC(=O)N)C)CCC(=O)O

InChI

InChI=1S/C12H17N3O4/c1-7-9(3-4-11(17)18)8(2)15(12(19)14-7)6-5-10(13)16/h3-6H2,1-2H3,(H2,13,16)(H,17,18)