2-azanyl-1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]piperidine-3-carbaldehyde

Systemtic Name: 2-azanyl-1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]piperidine-3-carbaldehyde Openeye Name: 2-amino-1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]piperidine-3-carbaldehyde CAS Name: 2-amino-1-[6-(3-chloroanilino)-9-ethyl-2-purinyl]-3-piperidinecarboxaldehyde IUPAC Name: 2-amino-1-[6-(3-chloroanilino)-9-ethylpurin-2-yl]piperidine-3-carbaldehyde Traditional Name: 2-amino-1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]nipecotaldehyde Formula: C19H22ClN7O MolecularWeight: 399.87728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC(C4N)C=O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC(C4N)C=O

InChI

InChI=1S/C19H22ClN7O/c1-2-26-11-22-15-17(23-14-7-3-6-13(20)9-14)24-19(25-18(15)26)27-8-4-5-12(10-28)16(27)21/h3,6-7,9-12,16H,2,4-5,8,21H2,1H3,(H,23,24,25)