2-[(4-methylphenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one Openeye Name: 3-phenethyl-2-(p-tolylmethylsulfanyl)pteridin-4-one CAS Name: 2-[(4-methylphenyl)methylthio]-3-phenethyl-4-pteridinone IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-3-phenethylpteridin-4-one Traditional Name: 2-[(4-methylbenzyl)thio]-3-phenethyl-pteridin-4-one Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4OS/c1-16-7-9-18(10-8-16)15-28-22-25-20-19(23-12-13-24-20)21(27)26(22)14-11-17-5-3-2-4-6-17/h2-10,12-13H,11,14-15H2,1H3