1-(4-chlorophenyl)-2-(cyclopropylmethylsulfanyl)-9-ethyl-purin-6-one

Systemtic Name: 1-(4-chlorophenyl)-2-(cyclopropylmethylsulfanyl)-9-ethyl-purin-6-one Openeye Name: 1-(4-chlorophenyl)-2-(cyclopropylmethylsulfanyl)-9-ethyl-purin-6-one CAS Name: 1-(4-chlorophenyl)-2-(cyclopropylmethylthio)-9-ethyl-6-purinone IUPAC Name: 1-(4-chlorophenyl)-2-(cyclopropylmethylsulfanyl)-9-ethylpurin-6-one Traditional Name: 1-(4-chlorophenyl)-2-(cyclopropylmethylthio)-9-ethyl-purin-6-one Formula: C17H17ClN4OS MolecularWeight: 360.86108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4CC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N(C2=O)C3=CC=C(C=C3)Cl)SCC4CC4

InChI

InChI=1S/C17H17ClN4OS/c1-2-21-10-19-14-15(21)20-17(24-9-11-3-4-11)22(16(14)23)13-7-5-12(18)6-8-13/h5-8,10-11H,2-4,9H2,1H3