[5-chloranyl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-chloranyl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [5-chloro-6-[4-(7H-purin-6-yl)-1-piperazinyl]-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-chloro-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-chloro-6-[4-(7H-purin-6-yl)piperazino]-3-pyridyl]-pyrrolidino-methanone Formula: C19H21ClN8O MolecularWeight: 412.87604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCN(CC3)C4=NC=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCN(CC3)C4=NC=NC5=C4NC=N5)Cl

InChI

InChI=1S/C19H21ClN8O/c20-14-9-13(19(29)28-3-1-2-4-28)10-21-17(14)26-5-7-27(8-6-26)18-15-16(23-11-22-15)24-12-25-18/h9-12H,1-8H2,(H,22,23,24,25)