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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H27N5O3S/c1-4-17-6-10-19(11-7-17)29-24(32)21(5-2)35-26-30-23-22(27-14-15-28-23)25(33)31(26)16-18-8-12-20(34-3)13-9-18/h6-15,21H,4-5,16H2,1-3H3,(H,29,32)