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

Systemtic Name: N-(2-methylphenyl)-2-[4-oxidanylidene-3-(phenylmethyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzyl-4-oxo-pteridin-2-yl)sulfanyl-N-(o-tolyl)acetamide CAS Name: N-(2-methylphenyl)-2-[[4-oxo-3-(phenylmethyl)-2-pteridinyl]thio]acetamide IUPAC Name: 2-(3-benzyl-4-oxopteridin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3-benzyl-4-keto-pteridin-2-yl)thio]-N-(o-tolyl)acetamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CC=C4

InChI

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