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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-phenethyl-pteridin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-phenethyl-4-pteridinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-phenethylpteridin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-phenethyl-pteridin-4-one Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4OS/c22-17-8-6-16(7-9-17)14-28-21-25-19-18(23-11-12-24-19)20(27)26(21)13-10-15-4-2-1-3-5-15/h1-9,11-12H,10,13-14H2