6-azanyl-2-(butylamino)-9-[(5-chloranylthiophen-2-yl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(5-chloranylthiophen-2-yl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(5-chloro-2-thienyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(5-chloro-2-thiophenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(5-chlorothiophen-2-yl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-[(5-chloro-2-thienyl)methyl]-7H-purin-8-one Formula: C14H17ClN6OS MolecularWeight: 352.84238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)Cl

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(S3)Cl

InChI

InChI=1S/C14H17ClN6OS/c1-2-3-6-17-13-19-11(16)10-12(20-13)21(14(22)18-10)7-8-4-5-9(15)23-8/h4-5H,2-3,6-7H2,1H3,(H,18,22)(H3,16,17,19,20)