9-butan-2-yl-2-chloranyl-N-(phenylmethyl)purin-6-amine

Systemtic Name: 9-butan-2-yl-2-chloranyl-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-2-chloro-9-sec-butyl-purin-6-amine CAS Name: 9-butan-2-yl-2-chloro-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-9-butan-2-yl-2-chloropurin-6-amine Traditional Name: benzyl-(2-chloro-9-sec-butyl-purin-6-yl)amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5/c1-3-11(2)22-10-19-13-14(20-16(17)21-15(13)22)18-9-12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,18,20,21)