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

Systemtic Name: N-(4-methylphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: 2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-N-(p-tolyl)butanamide CAS Name: N-(4-methylphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-(4-methylphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(p-tolyl)butyramide Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2S/c1-3-20(23(31)28-19-11-9-17(2)10-12-19)33-25-29-22-21(26-14-15-27-22)24(32)30(25)16-13-18-7-5-4-6-8-18/h4-12,14-15,20H,3,13,16H2,1-2H3,(H,28,31)