9-[1-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperidin-4-yl]-7H-purin-8-one

Systemtic Name: 9-[1-(3-chloranyl-5-pyrrolidin-1-ylcarbonyl-pyridin-2-yl)piperidin-4-yl]-7H-purin-8-one Openeye Name: 9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]-4-piperidyl]-7H-purin-8-one CAS Name: 9-[1-[3-chloro-5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]-4-piperidinyl]-7H-purin-8-one IUPAC Name: 9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidin-4-yl]-7H-purin-8-one Traditional Name: 9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridyl]-4-piperidyl]-7H-purin-8-one Formula: C20H22ClN7O2 MolecularWeight: 427.88738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCC(CC3)N4C5=NC=NC=C5NC4=O)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=C(N=C2)N3CCC(CC3)N4C5=NC=NC=C5NC4=O)Cl

InChI

InChI=1S/C20H22ClN7O2/c21-15-9-13(19(29)27-5-1-2-6-27)10-23-17(15)26-7-3-14(4-8-26)28-18-16(25-20(28)30)11-22-12-24-18/h9-12,14H,1-8H2,(H,25,30)