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

Systemtic Name: 2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-pteridinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxopteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[3-[2-(1H-indol-3-yl)ethyl]-4-keto-pteridin-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C25H22N6O3S MolecularWeight: 486.54558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H22N6O3S/c1-34-18-8-6-17(7-9-18)29-21(32)15-35-25-30-23-22(26-11-12-27-23)24(33)31(25)13-10-16-14-28-20-5-3-2-4-19(16)20/h2-9,11-12,14,28H,10,13,15H2,1H3,(H,29,32)