1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-pteridin-4-one

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-pteridin-4-one Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-pteridin-4-one CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-4-pteridinone IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidenepteridin-4-one Traditional Name: 1-homoveratryl-2-thioxo-pteridin-4-one Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C3=NC=CN=C3C(=O)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C3=NC=CN=C3C(=O)NC2=S)OC

InChI

InChI=1S/C16H16N4O3S/c1-22-11-4-3-10(9-12(11)23-2)5-8-20-14-13(17-6-7-18-14)15(21)19-16(20)24/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21,24)