ethyl 2-[(5-oxidanylidene-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-oxidanylidene-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-oxo-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(5-oxo-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-oxo-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-4-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)thio]acetic acid ethyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=C2C(=N1)NC=NC2=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC(=C2C(=N1)NC=NC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14N4O3S/c1-2-23-11(21)8-24-16-19-13(10-6-4-3-5-7-10)12-14(20-16)17-9-18-15(12)22/h3-7,9H,2,8H2,1H3,(H,17,18,19,20,22)