N2-(1-benzothiophen-6-yl)-N6-cycloheptyl-8-methyl-7H-purine-2,6-diamine

Systemtic Name: N2-(1-benzothiophen-6-yl)-N6-cycloheptyl-8-methyl-7H-purine-2,6-diamine Openeye Name: N2-(benzothiophen-6-yl)-N6-cycloheptyl-8-methyl-7H-purine-2,6-diamine CAS Name: N2-(1-benzothiophen-6-yl)-N6-cycloheptyl-8-methyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1-benzothiophen-6-yl)-6-N-cycloheptyl-8-methyl-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[6-(cycloheptylamino)-8-methyl-7H-purin-2-yl]amine Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)C=CS4)NC5CCCCCC5

Isomeric SMILES

CC1=NC2=C(N1)C(=NC(=N2)NC3=CC4=C(C=C3)C=CS4)NC5CCCCCC5

InChI

InChI=1S/C21H24N6S/c1-13-22-18-19(23-13)26-21(25-16-9-8-14-10-11-28-17(14)12-16)27-20(18)24-15-6-4-2-3-5-7-15/h8-12,15H,2-7H2,1H3,(H3,22,23,24,25,26,27)