2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]pteridin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]pteridin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]pteridin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[2-(1H-indol-3-yl)ethyl]-4-pteridinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(1H-indol-3-yl)ethyl]pteridin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-[2-(1H-indol-3-yl)ethyl]pteridin-4-one Formula: C23H18ClN5OS MolecularWeight: 447.93992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=NC=CN=C4N=C3SCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCN3C(=O)C4=NC=CN=C4N=C3SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H18ClN5OS/c24-17-7-5-15(6-8-17)14-31-23-28-21-20(25-10-11-26-21)22(30)29(23)12-9-16-13-27-19-4-2-1-3-18(16)19/h1-8,10-11,13,27H,9,12,14H2