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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-butanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)butanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(2-methoxy-5-methyl-phenyl)butyramide Formula: C25H25N5O3S MolecularWeight: 475.5627

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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)N2CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C)OC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O3S/c1-4-20(23(31)28-18-14-16(2)10-11-19(18)33-3)34-25-29-22-21(26-12-13-27-22)24(32)30(25)15-17-8-6-5-7-9-17/h5-14,20H,4,15H2,1-3H3,(H,28,31)