3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide

Systemtic Name: 3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide Openeye Name: 3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]norbornane-2-carboxamide CAS Name: 3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]-2-bicyclo[2.2.1]heptanecarboxamide IUPAC Name: 3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]bicyclo[2.2.1]heptane-2-carboxamide Traditional Name: 3-[[2-(1H-indol-5-ylamino)-7H-purin-6-yl]amino]norbornane-2-carboxamide Formula: C21H22N8O MolecularWeight: 402.45238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(C2NC3=NC(=NC4=C3NC=N4)NC5=CC6=C(C=C5)NC=C6)C(=O)N

Isomeric SMILES

C1CC2CC1C(C2NC3=NC(=NC4=C3NC=N4)NC5=CC6=C(C=C5)NC=C6)C(=O)N

InChI

InChI=1S/C21H22N8O/c22-18(30)15-11-1-2-12(7-11)16(15)27-20-17-19(25-9-24-17)28-21(29-20)26-13-3-4-14-10(8-13)5-6-23-14/h3-6,8-9,11-12,15-16,23H,1-2,7H2,(H2,22,30)(H3,24,25,26,27,28,29)