N-(4-ethylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-ethylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-ethylphenyl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide CAS Name: N-(4-ethylphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-(4-ethylphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: N-(4-ethylphenyl)-2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]butyramide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O2S/c1-3-18-10-12-20(13-11-18)29-24(32)21(4-2)34-26-30-23-22(27-15-16-28-23)25(33)31(26)17-14-19-8-6-5-7-9-19/h5-13,15-16,21H,3-4,14,17H2,1-2H3,(H,29,32)