N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2-methyl-phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2-methyl-phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methyl-phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-2-methylphenyl]-2-methylbenzamide IUPAC Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methylphenyl]-2-methylbenzamide Traditional Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-2-methyl-phenyl]-2-methyl-benzamide Formula: C22H21N7O2S MolecularWeight: 447.51284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C=C(C=C2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N)C

InChI

InChI=1S/C22H21N7O2S/c1-12-5-3-4-6-15(12)21(31)27-16-8-7-14(9-13(16)2)26-17(30)10-32-22-28-18-19(23)24-11-25-20(18)29-22/h3-9,11H,10H2,1-2H3,(H,26,30)(H,27,31)(H3,23,24,25,28,29)