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

Systemtic Name: N-(4-methoxyphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-isopropoxypropyl)-4-keto-pteridin-2-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4S/c1-14(2)30-12-4-11-26-20(28)18-19(23-10-9-22-18)25-21(26)31-13-17(27)24-15-5-7-16(29-3)8-6-15/h5-10,14H,4,11-13H2,1-3H3,(H,24,27)