3-[[3-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[3-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-5-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid Openeye Name: 3-[[3-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]methyl]thiophene-2-carboxylic acid CAS Name: 3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxo-1-pyrimidinyl]methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[3-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-5-methyl-2,6-dioxopyrimidin-1-yl]methyl]thiophene-2-carboxylic acid Traditional Name: 3-[[3-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-2,6-diketo-5-methyl-pyrimidin-1-yl]methyl]-2-thenoic acid Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)N(C1=O)CC2=C(SC=C2)C(=O)O)CC(C(=O)O)N

Isomeric SMILES

CC1=CN(C(=O)N(C1=O)CC2=C(SC=C2)C(=O)O)C[C@@H](C(=O)O)N

InChI

InChI=1S/C14H15N3O6S/c1-7-4-16(6-9(15)12(19)20)14(23)17(11(7)18)5-8-2-3-24-10(8)13(21)22/h2-4,9H,5-6,15H2,1H3,(H,19,20)(H,21,22)/t9-/m0/s1