ethyl 4-azanyl-2-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16N6O5S2 MolecularWeight: 460.48684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N6O5S2/c1-2-29-16(26)12-7-20-17(23-15(12)19)31-9-14(25)22-18-21-13(8-30-18)10-4-3-5-11(6-10)24(27)28/h3-8H,2,9H2,1H3,(H2,19,20,23)(H,21,22,25)