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

Systemtic Name: ethyl 4-[[6-azanyl-5-[(2-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[[6-amino-5-[(2-methyl-3-nitro-benzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxo-butanoate CAS Name: 4-[[6-amino-5-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[6-amino-5-[(2-methyl-3-nitrobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-3-oxobutanoate Traditional Name: 4-[[6-amino-4-keto-5-[(2-methyl-3-nitro-benzoyl)amino]-1H-pyrimidin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C18H19N5O7S MolecularWeight: 449.43776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N5O7S/c1-3-30-13(25)7-10(24)8-31-18-21-15(19)14(17(27)22-18)20-16(26)11-5-4-6-12(9(11)2)23(28)29/h4-6H,3,7-8H2,1-2H3,(H,20,26)(H3,19,21,22,27)