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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)pteridin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-thienylmethyl)pteridin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(thiophen-2-ylmethyl)-4-pteridinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)pteridin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-(2-thenyl)pteridin-4-one Formula: C18H13ClN4OS2 MolecularWeight: 400.90502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=CS4

InChI

InChI=1S/C18H13ClN4OS2/c19-13-4-1-3-12(9-13)11-26-18-22-16-15(20-6-7-21-16)17(24)23(18)10-14-5-2-8-25-14/h1-9H,10-11H2