2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(3-methylphenyl)ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-pteridinyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxopteridin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-pteridin-2-yl)thio]-N-(m-tolyl)acetamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H25N5O4S/c1-16-5-4-6-18(13-16)28-21(31)15-35-25-29-23-22(26-10-11-27-23)24(32)30(25)12-9-17-7-8-19(33-2)20(14-17)34-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3,(H,28,31)