ethyl 4-[2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-ethylsulfanyl-5-oxidanylidene-pyrimido[4,5-d]pyrimidin-6-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-ethylsulfanyl-5-oxo-pyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate CAS Name: 4-[[2-[2-(ethylthio)-5-oxo-6-pyrimido[4,5-d]pyrimidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-ethylsulfanyl-5-oxopyrimido[4,5-d]pyrimidin-6-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(ethylthio)-5-keto-pyrimido[4,5-d]pyrimidin-6-yl]acetyl]amino]benzoic acid ethyl ester Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)SCC

InChI

InChI=1S/C19H19N5O4S/c1-3-28-18(27)12-5-7-13(8-6-12)22-15(25)10-24-11-21-16-14(17(24)26)9-20-19(23-16)29-4-2/h5-9,11H,3-4,10H2,1-2H3,(H,22,25)