methyl 4-[[(2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid methyl ester Formula: C15H16N4O4S MolecularWeight: 348.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H16N4O4S/c1-8(24-15-18-11(16)7-12(20)19-15)13(21)17-10-5-3-9(4-6-10)14(22)23-2/h3-8H,1-2H3,(H,17,21)(H3,16,18,19,20)/t8-/m1/s1