2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4-one

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4-one Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4-one CAS Name: 2-[(3-chlorophenyl)methylthio]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-pteridinone IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pteridin-4-one Traditional Name: 2-[(3-chlorobenzyl)thio]-3-homoveratryl-pteridin-4-one Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C23H21ClN4O3S/c1-30-18-7-6-15(13-19(18)31-2)8-11-28-22(29)20-21(26-10-9-25-20)27-23(28)32-14-16-4-3-5-17(24)12-16/h3-7,9-10,12-13H,8,11,14H2,1-2H3