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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-pteridinyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-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-(m-tolyl)acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-14(2)29-11-5-10-26-20(28)18-19(23-9-8-22-18)25-21(26)30-13-17(27)24-16-7-4-6-15(3)12-16/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,24,27)