N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-3-(tetrahydrofurfuryl)pteridin-2-yl]thio]acetamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H23N5O3S/c1-2-14-5-7-15(8-6-14)24-17(27)13-30-21-25-19-18(22-9-10-23-19)20(28)26(21)12-16-4-3-11-29-16/h5-10,16H,2-4,11-13H2,1H3,(H,24,27)