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

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-N-(2-methylphenyl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-pteridin-2-yl)sulfanyl-N-(o-tolyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-pteridinyl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-pteridin-2-yl)thio]-N-(o-tolyl)acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=NC=CN=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C20H23N5O2S/c1-13(2)8-11-25-19(27)17-18(22-10-9-21-17)24-20(25)28-12-16(26)23-15-7-5-4-6-14(15)3/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,23,26)