ethyl 2-[2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[6-azanyl-5-[(4-ethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[[6-amino-5-[[(4-ethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[[6-amino-5-[(4-ethoxybenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C19H23N5O6S MolecularWeight: 449.48082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC(=O)OCC)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC(=O)OCC)N

InChI

InChI=1S/C19H23N5O6S/c1-3-29-12-7-5-11(6-8-12)17(27)22-15-16(20)23-19(24-18(15)28)31-10-13(25)21-9-14(26)30-4-2/h5-8H,3-4,9-10H2,1-2H3,(H,21,25)(H,22,27)(H3,20,23,24,28)