3-[(2-butyl-4-chloranyl-1H-imidazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one

Systemtic Name: 3-[(2-butyl-4-chloranyl-1H-imidazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one Openeye Name: 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-thioxo-7H-purin-6-one CAS Name: 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one IUPAC Name: 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-sulfanylidene-7H-purin-6-one Traditional Name: 3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-thioxo-7H-purin-6-one Formula: C13H15ClN6OS MolecularWeight: 338.8158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1)CN2C3=C(C(=O)NC2=S)NC=N3)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1)CN2C3=C(C(=O)NC2=S)NC=N3)Cl

InChI

InChI=1S/C13H15ClN6OS/c1-2-3-4-8-17-7(10(14)18-8)5-20-11-9(15-6-16-11)12(21)19-13(20)22/h6H,2-5H2,1H3,(H,15,16)(H,17,18)(H,19,21,22)