ethyl 2-[2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[5-[(2,4-diketo-1H-pyrimidin-6-yl)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C19H20N6O5S MolecularWeight: 444.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C19H20N6O5S/c1-2-30-17(28)10-20-16(27)11-31-19-24-23-14(25(19)13-6-4-3-5-7-13)8-12-9-15(26)22-18(29)21-12/h3-7,9H,2,8,10-11H2,1H3,(H,20,27)(H2,21,22,26,29)