2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-6-propan-2-yl-pyrimidine-4-carboxylic acid

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-6-propan-2-yl-pyrimidine-4-carboxylic acid Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-6-isopropyl-pyrimidine-4-carboxylic acid CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-6-propan-2-yl-4-pyrimidinecarboxylic acid IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-6-propan-2-ylpyrimidine-4-carboxylic acid Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-6-isopropyl-pyrimidine-4-carboxylic acid Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)O)N(C)C2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)O)N(C)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C13H19N3O4S/c1-8(2)10-6-11(12(17)18)15-13(14-10)16(3)9-4-5-21(19,20)7-9/h6,8-9H,4-5,7H2,1-3H3,(H,17,18)/t9-/m0/s1