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

Systemtic Name: N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2-methyl-phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methyl-phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-2-methylphenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2-methylphenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-2-methyl-phenyl]cyclohexanecarboxamide Formula: C21H25N7O2S MolecularWeight: 439.5339

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)NC(=O)C4CCCCC4

InChI

InChI=1S/C21H25N7O2S/c1-12-9-14(7-8-15(12)26-20(30)13-5-3-2-4-6-13)25-16(29)10-31-21-27-17-18(22)23-11-24-19(17)28-21/h7-9,11,13H,2-6,10H2,1H3,(H,25,29)(H,26,30)(H3,22,23,24,27,28)