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

Systemtic Name: methyl 2-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-amino-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-amino-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]-1H-pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C15H15N5O6S MolecularWeight: 393.3745

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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)SCC(=O)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O6S/c1-7-8(4-3-5-9(7)20(24)25)13(22)17-11-12(16)18-15(19-14(11)23)27-6-10(21)26-2/h3-5H,6H2,1-2H3,(H,17,22)(H3,16,18,19,23)