[6-[4-(2-azanyl-7H-purin-6-yl)piperazin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-[4-(2-azanyl-7H-purin-6-yl)piperazin-1-yl]-5-chloranyl-pyridin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-5-chloro-3-pyridyl]-pyrrolidin-1-yl-methanone CAS Name: [6-[4-(2-amino-7H-purin-6-yl)-1-piperazinyl]-5-chloro-3-pyridinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-[4-(2-amino-7H-purin-6-yl)piperazin-1-yl]-5-chloropyridin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-[4-(2-amino-7H-purin-6-yl)piperazino]-5-chloro-3-pyridyl]-pyrrolidino-methanone Formula: C19H22ClN9O MolecularWeight: 427.89068

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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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN9O/c20-13-9-12(18(30)29-3-1-2-4-29)10-22-16(13)27-5-7-28(8-6-27)17-14-15(24-11-23-14)25-19(21)26-17/h9-11H,1-8H2,(H3,21,23,24,25,26)