ethyl 4-[9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate CAS Name: 4-[9-(4-chlorophenyl)-6-purinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H19ClN6O2 MolecularWeight: 386.83546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC=NC3=C2N=CN3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN6O2/c1-2-27-18(26)24-9-7-23(8-10-24)16-15-17(21-11-20-16)25(12-22-15)14-5-3-13(19)4-6-14/h3-6,11-12H,2,7-10H2,1H3