N-(2-methoxy-5-methyl-phenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(2-methoxy-5-methyl-phenyl)butyramide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)SC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H27N5O3S/c1-4-21(24(32)29-19-16-17(2)10-11-20(19)34-3)35-26-30-23-22(27-13-14-28-23)25(33)31(26)15-12-18-8-6-5-7-9-18/h5-11,13-14,16,21H,4,12,15H2,1-3H3,(H,29,32)