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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-[3-(3-isopropoxypropyl)-4-oxo-pteridin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)pteridin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethylphenyl)-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:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCCOC(C)C)C

InChI

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