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

Systemtic Name: 2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-pteridin-2-yl]thio]-N-phenyl-acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-14(2)28-12-6-11-25-19(27)17-18(22-10-9-21-17)24-20(25)29-13-16(26)23-15-7-4-3-5-8-15/h3-5,7-10,14H,6,11-13H2,1-2H3,(H,23,26)