methyl 2-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[6-amino-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate CAS Name: 2-[[6-amino-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoate Traditional Name: 2-[[6-amino-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]-1H-pyrimidin-2-yl]thio]propionic acid methyl ester Formula: C16H17N5O6S MolecularWeight: 407.40108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)OC)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(NC(=NC2=O)SC(C)C(=O)OC)N

InChI

InChI=1S/C16H17N5O6S/c1-7-9(5-4-6-10(7)21(25)26)13(22)18-11-12(17)19-16(20-14(11)23)28-8(2)15(24)27-3/h4-6,8H,1-3H3,(H,18,22)(H3,17,19,20,23)