N-[1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]piperidin-3-yl]methanamide

Systemtic Name: N-[1-[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]piperidin-3-yl]methanamide Openeye Name: N-[1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-3-piperidyl]formamide CAS Name: N-[1-[6-(3-chloroanilino)-9-ethyl-2-purinyl]-3-piperidinyl]formamide IUPAC Name: N-[1-[6-(3-chloroanilino)-9-ethylpurin-2-yl]piperidin-3-yl]formamide Traditional Name: N-[1-[6-(3-chloroanilino)-9-ethyl-purin-2-yl]-3-piperidyl]formamide 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(C4)NC=O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)Cl)N4CCCC(C4)NC=O

InChI

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