6-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-7,9-dihydropurin-8-one

Systemtic Name: 6-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-7,9-dihydropurin-8-one Openeye Name: 6-[4-[4-(4-chlorophenyl)-4-piperidyl]phenyl]-7,9-dihydropurin-8-one CAS Name: 6-[4-[4-(4-chlorophenyl)-4-piperidinyl]phenyl]-7,9-dihydropurin-8-one IUPAC Name: 6-[4-[4-(4-chlorophenyl)piperidin-4-yl]phenyl]-7,9-dihydropurin-8-one Traditional Name: 6-[4-[4-(4-chlorophenyl)-4-piperidyl]phenyl]-7,9-dihydropurin-8-one Formula: C22H20ClN5O MolecularWeight: 405.8801

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C2=CC=C(C=C2)C3=C4C(=NC=N3)NC(=O)N4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CNCCC1(C2=CC=C(C=C2)C3=C4C(=NC=N3)NC(=O)N4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C22H20ClN5O/c23-17-7-5-16(6-8-17)22(9-11-24-12-10-22)15-3-1-14(2-4-15)18-19-20(26-13-25-18)28-21(29)27-19/h1-8,13,24H,9-12H2,(H2,25,26,27,28,29)