N-(3-chloranyl-4-methoxy-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C21H24ClN5O4S MolecularWeight: 477.96436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=NC=CN=C2N=C1SCC(=O)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H24ClN5O4S/c1-13(2)31-10-4-9-27-20(29)18-19(24-8-7-23-18)26-21(27)32-12-17(28)25-14-5-6-16(30-3)15(22)11-14/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,25,28)