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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[3-(3-isopropoxypropyl)-4-keto-pteridin-2-yl]thio]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C

InChI

InChI=1S/C22H27N5O3S/c1-4-16-6-8-17(9-7-16)25-18(28)14-31-22-26-20-19(23-10-11-24-20)21(29)27(22)12-5-13-30-15(2)3/h6-11,15H,4-5,12-14H2,1-3H3,(H,25,28)