2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanamide

Systemtic Name: 2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanylethanamide Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanylacetamide CAS Name: 2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetamide IUPAC Name: 2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]acetamide Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)N

InChI

InChI=1S/C16H15N5O2S/c17-12(22)10-24-16-20-14-13(18-7-8-19-14)15(23)21(16)9-6-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H2,17,22)