N2-butyl-9-[(5-chloranylthiophen-2-yl)methyl]purine-2,6-diamine

Systemtic Name: N2-butyl-9-[(5-chloranylthiophen-2-yl)methyl]purine-2,6-diamine Openeye Name: N2-butyl-9-[(5-chloro-2-thienyl)methyl]purine-2,6-diamine CAS Name: N2-butyl-9-[(5-chloro-2-thiophenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-butyl-9-[(5-chlorothiophen-2-yl)methyl]purine-2,6-diamine Traditional Name: [6-amino-9-[(5-chloro-2-thienyl)methyl]purin-2-yl]-butyl-amine Formula: C14H17ClN6S MolecularWeight: 336.84298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(S3)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=CN2CC3=CC=C(S3)Cl

InChI

InChI=1S/C14H17ClN6S/c1-2-3-6-17-14-19-12(16)11-13(20-14)21(8-18-11)7-9-4-5-10(15)22-9/h4-5,8H,2-3,6-7H2,1H3,(H3,16,17,19,20)