[4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[2-[2-(1H-imidazol-5-yl)ethylamino]-7H-purin-6-yl]amino]phenyl]-piperidino-methanone Formula: C22H25N9O MolecularWeight: 431.4936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)NCCC5=CN=CN5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3NC=N4)NCCC5=CN=CN5

InChI

InChI=1S/C22H25N9O/c32-21(31-10-2-1-3-11-31)15-4-6-16(7-5-15)28-20-18-19(27-14-26-18)29-22(30-20)24-9-8-17-12-23-13-25-17/h4-7,12-14H,1-3,8-11H2,(H,23,25)(H3,24,26,27,28,29,30)