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

Systemtic Name: N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[4-oxo-3-(p-tolylmethyl)pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[3-[(4-methylphenyl)methyl]-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methylbenzyl)pteridin-2-yl]thio]-N-(m-tolyl)acetamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2S/c1-15-6-8-17(9-7-15)13-28-22(30)20-21(25-11-10-24-20)27-23(28)31-14-19(29)26-18-5-3-4-16(2)12-18/h3-12H,13-14H2,1-2H3,(H,26,29)