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

Systemtic Name: N-(3-methoxyphenyl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-methoxyphenyl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-butanamide CAS Name: N-(3-methoxyphenyl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]butanamide IUPAC Name: N-(3-methoxyphenyl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(3-methoxyphenyl)butyramide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O3S/c1-3-20(23(31)28-18-10-7-11-19(16-18)33-2)34-25-29-22-21(26-13-14-27-22)24(32)30(25)15-12-17-8-5-4-6-9-17/h4-11,13-14,16,20H,3,12,15H2,1-2H3,(H,28,31)