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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-(4-chlorobenzyl)-2-(m-anisylthio)pteridin-4-one Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC3=NC=CN=C3C(=O)N2CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S/c1-28-17-4-2-3-15(11-17)13-29-21-25-19-18(23-9-10-24-19)20(27)26(21)12-14-5-7-16(22)8-6-14/h2-11H,12-13H2,1H3