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

Systemtic Name: N-(2-ethoxyphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(2-ethoxyphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(2-ethoxyphenyl)-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-o-phenetyl-acetamide Formula: C22H27N5O4S MolecularWeight: 457.54588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C

InChI

InChI=1S/C22H27N5O4S/c1-4-30-17-9-6-5-8-16(17)25-18(28)14-32-22-26-20-19(23-10-11-24-20)21(29)27(22)12-7-13-31-15(2)3/h5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,25,28)