ethyl 2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]acetic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=NC=CN=C2C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=NC=CN=C2C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S/c1-2-25-14(23)12-26-18-21-16-15(19-9-10-20-16)17(24)22(18)11-8-13-6-4-3-5-7-13/h3-7,9-10H,2,8,11-12H2,1H3