2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide

Systemtic Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Openeye Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(p-tolylmethyl)butanamide CAS Name: 2-[[3-[(4-methoxyphenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-[(4-methylphenyl)methyl]butanamide IUPAC Name: 2-[3-[(4-methoxyphenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]butanamide Traditional Name: 2-[(4-keto-3-p-anisyl-pteridin-2-yl)thio]-N-(4-methylbenzyl)butyramide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)OC

InChI

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