N-(3,5-dimethylphenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[3-[2-(1H-indol-3-yl)ethyl]-4-keto-pteridin-2-yl]thio]acetamide Formula: C26H24N6O2S MolecularWeight: 484.57276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C26H24N6O2S/c1-16-11-17(2)13-19(12-16)30-22(33)15-35-26-31-24-23(27-8-9-28-24)25(34)32(26)10-7-18-14-29-21-6-4-3-5-20(18)21/h3-6,8-9,11-14,29H,7,10,15H2,1-2H3,(H,30,33)