2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)ethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-pteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-pteridinyl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxopteridin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide Traditional Name: 2-[(3-homoveratryl-4-keto-pteridin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C22H23N7O4S MolecularWeight: 481.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H23N7O4S/c1-13-10-17(28-27-13)25-18(30)12-34-22-26-20-19(23-7-8-24-20)21(31)29(22)9-6-14-4-5-15(32-2)16(11-14)33-3/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H2,25,27,28,30)