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

Systemtic Name: ethyl 2-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[6-amino-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[6-amino-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[6-amino-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]-1H-pyrimidin-2-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C18H21N5O6S MolecularWeight: 435.45424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C(C)(C)SC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N5O6S/c1-5-29-16(26)18(3,4)30-17-21-13(19)12(15(25)22-17)20-14(24)10-7-6-8-11(9(10)2)23(27)28/h6-8H,5H2,1-4H3,(H,20,24)(H3,19,21,22,25)