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

Systemtic Name: N2-(1-benzothiophen-6-yl)-N6-cycloheptyl-7H-purine-2,6-diamine Openeye Name: N2-(benzothiophen-6-yl)-N6-cycloheptyl-7H-purine-2,6-diamine CAS Name: N2-(1-benzothiophen-6-yl)-N6-cycloheptyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1-benzothiophen-6-yl)-6-N-cycloheptyl-7H-purine-2,6-diamine Traditional Name: benzothiophen-6-yl-[6-(cycloheptylamino)-7H-purin-2-yl]amine Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC5=C(C=C4)C=CS5

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC5=C(C=C4)C=CS5

InChI

InChI=1S/C20H22N6S/c1-2-4-6-14(5-3-1)23-19-17-18(22-12-21-17)25-20(26-19)24-15-8-7-13-9-10-27-16(13)11-15/h7-12,14H,1-6H2,(H3,21,22,23,24,25,26)