N-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]-2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanamide

Systemtic Name: N-[1-oxidanylidene-1-(phenethylamino)propan-2-yl]-2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanamide Openeye Name: N-[1-methyl-2-oxo-2-(phenethylamino)ethyl]-2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanamide CAS Name: N-[1-oxo-1-(phenethylamino)propan-2-yl]-2-[[1-oxo-3-(7H-purin-6-ylthio)propyl]amino]propanamide IUPAC Name: N-[1-oxo-1-(phenethylamino)propan-2-yl]-2-[3-(7H-purin-6-ylsulfanyl)propanoylamino]propanamide Traditional Name: N-[2-keto-1-methyl-2-(phenethylamino)ethyl]-2-[3-(7H-purin-6-ylthio)propanoylamino]propionamide Formula: C22H27N7O3S MolecularWeight: 469.55988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NCCC1=CC=CC=C1)NC(=O)CCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NCCC1=CC=CC=C1)NC(=O)CCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C22H27N7O3S/c1-14(20(31)23-10-8-16-6-4-3-5-7-16)29-21(32)15(2)28-17(30)9-11-33-22-18-19(25-12-24-18)26-13-27-22/h3-7,12-15H,8-11H2,1-2H3,(H,23,31)(H,28,30)(H,29,32)(H,24,25,26,27)