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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methylthio]-4-pteridinone IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pteridin-4-one Traditional Name: 3-homoveratryl-2-(m-anisylthio)pteridin-4-one Formula: C24H24N4O4S MolecularWeight: 464.53676

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O4S/c1-30-18-6-4-5-17(13-18)15-33-24-27-22-21(25-10-11-26-22)23(29)28(24)12-9-16-7-8-19(31-2)20(14-16)32-3/h4-8,10-11,13-14H,9,12,15H2,1-3H3