ethyl 2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-4-oxopteridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]acetic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=NC=CN=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=NC=CN=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-2-24-13(22)11-25-17-20-15-14(18-8-9-19-15)16(23)21(17)10-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3