2-chloranyl-9-pentan-3-yl-N-phenyl-purin-6-amine

Systemtic Name: 2-chloranyl-9-pentan-3-yl-N-phenyl-purin-6-amine Openeye Name: 2-chloro-9-(1-ethylpropyl)-N-phenyl-purin-6-amine CAS Name: 2-chloro-9-pentan-3-yl-N-phenyl-6-purinamine IUPAC Name: 2-chloro-9-pentan-3-yl-N-phenylpurin-6-amine Traditional Name: [2-chloro-9-(1-ethylpropyl)purin-6-yl]-phenyl-amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(CC)N1C=NC2=C1N=C(N=C2NC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5/c1-3-12(4-2)22-10-18-13-14(20-16(17)21-15(13)22)19-11-8-6-5-7-9-11/h5-10,12H,3-4H2,1-2H3,(H,19,20,21)