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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(o-tolylmethylsulfanyl)pteridin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methylphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-homoveratryl-2-[(2-methylbenzyl)thio]pteridin-4-one Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC3=NC=CN=C3C(=O)N2CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H24N4O3S/c1-16-6-4-5-7-18(16)15-32-24-27-22-21(25-11-12-26-22)23(29)28(24)13-10-17-8-9-19(30-2)20(14-17)31-3/h4-9,11-12,14H,10,13,15H2,1-3H3