2-[3-(3-azanyl-3-methanoyl-4-methyl-2-oxidanylidene-pentyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(3-azanyl-3-methanoyl-4-methyl-2-oxidanylidene-pentyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[3-(3-amino-3-formyl-4-methyl-2-oxo-pentyl)-2,6-dioxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[3-(3-amino-3-formyl-4-methyl-2-oxopentyl)-2,6-dioxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[3-(3-amino-3-formyl-4-methyl-2-oxopentyl)-2,6-dioxopyrimidin-1-yl]acetic acid Traditional Name: 2-[3-(3-amino-3-formyl-2-keto-4-methyl-pentyl)-2,6-diketo-pyrimidin-1-yl]acetic acid Formula: C13H17N3O6 MolecularWeight: 311.29058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=O)(C(=O)CN1C=CC(=O)N(C1=O)CC(=O)O)N

Isomeric SMILES

CC(C)C(C=O)(C(=O)CN1C=CC(=O)N(C1=O)CC(=O)O)N

InChI

InChI=1S/C13H17N3O6/c1-8(2)13(14,7-17)9(18)5-15-4-3-10(19)16(12(15)22)6-11(20)21/h3-4,7-8H,5-6,14H2,1-2H3,(H,20,21)