2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-1-[(5-methylisoxazol-3-yl)carbamoyl]propyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H19N4O3S- MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(CC)C(=O)NC2=NOC(=C2)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](CC)C(=O)NC2=NOC(=C2)C)[O-]

InChI

InChI=1S/C15H20N4O3S/c1-4-6-10-8-13(20)18-15(16-10)23-11(5-2)14(21)17-12-7-9(3)22-19-12/h7-8,11H,4-6H2,1-3H3,(H,16,18,20)(H,17,19,21)/p-1/t11-/m1/s1