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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N7O2S/c1-12-3-5-14(6-4-12)10-27-19(29)17-18(22-8-7-21-17)24-20(27)30-11-16(28)23-15-9-13(2)25-26-15/h3-9H,10-11H2,1-2H3,(H2,23,25,26,28)