N2-(1,3-benzothiazol-5-yl)-N6-cycloheptyl-7H-purine-2,6-diamine

Systemtic Name: N2-(1,3-benzothiazol-5-yl)-N6-cycloheptyl-7H-purine-2,6-diamine Openeye Name: N2-(1,3-benzothiazol-5-yl)-N6-cycloheptyl-7H-purine-2,6-diamine CAS Name: N2-(1,3-benzothiazol-5-yl)-N6-cycloheptyl-7H-purine-2,6-diamine IUPAC Name: 2-N-(1,3-benzothiazol-5-yl)-6-N-cycloheptyl-7H-purine-2,6-diamine Traditional Name: 1,3-benzothiazol-5-yl-[6-(cycloheptylamino)-7H-purin-2-yl]amine Formula: C19H21N7S MolecularWeight: 379.48194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC5=C(C=C4)SC=N5

Isomeric SMILES

C1CCCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC5=C(C=C4)SC=N5

InChI

InChI=1S/C19H21N7S/c1-2-4-6-12(5-3-1)23-18-16-17(21-10-20-16)25-19(26-18)24-13-7-8-15-14(9-13)22-11-27-15/h7-12H,1-6H2,(H3,20,21,23,24,25,26)