2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-oxo-3-(p-tolylmethyl)pteridin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-pteridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[3-[(4-methylphenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)pteridin-2-yl]thio]-N-phenyl-acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-15-7-9-16(10-8-15)13-27-21(29)19-20(24-12-11-23-19)26-22(27)30-14-18(28)25-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,25,28)