2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-pteridin-2-yl]sulfanylethanamide Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-pteridin-2-yl]sulfanylacetamide CAS Name: 2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-pteridinyl]thio]acetamide IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxopteridin-2-yl]sulfanylacetamide Traditional Name: 2-[(3-homoveratryl-4-keto-pteridin-2-yl)thio]acetamide Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC(=O)N)OC

InChI

InChI=1S/C18H19N5O4S/c1-26-12-4-3-11(9-13(12)27-2)5-8-23-17(25)15-16(21-7-6-20-15)22-18(23)28-10-14(19)24/h3-4,6-7,9H,5,8,10H2,1-2H3,(H2,19,24)