N-(5-methyl-1H-pyrazol-3-yl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(4-oxidanylidene-3-phenethyl-pteridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(4-oxo-3-phenethyl-pteridin-2-yl)sulfanyl-acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-2-pteridinyl)thio]acetamide IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-(4-oxo-3-phenethylpteridin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-phenethyl-pteridin-2-yl)thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C20H19N7O2S MolecularWeight: 421.47556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O2S/c1-13-11-15(26-25-13)23-16(28)12-30-20-24-18-17(21-8-9-22-18)19(29)27(20)10-7-14-5-3-2-4-6-14/h2-6,8-9,11H,7,10,12H2,1H3,(H2,23,25,26,28)