2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,4,8,9-tetrahydropurin-6-one

Systemtic Name: 2-azanyl-8-[(4-chlorophenyl)methylsulfanyl]-1,4,8,9-tetrahydropurin-6-one Openeye Name: 2-amino-8-[(4-chlorophenyl)methylsulfanyl]-1,4,8,9-tetrahydropurin-6-one CAS Name: 2-amino-8-[(4-chlorophenyl)methylthio]-1,4,8,9-tetrahydropurin-6-one IUPAC Name: 2-amino-8-[(4-chlorophenyl)methylsulfanyl]-1,4,8,9-tetrahydropurin-6-one Traditional Name: 2-amino-8-[(4-chlorobenzyl)thio]-1,4,8,9-tetrahydropurin-6-one Formula: C12H12ClN5OS MolecularWeight: 309.77458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2NC3C(=N2)C(=O)NC(=N3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2NC3C(=N2)C(=O)NC(=N3)N)Cl

InChI

InChI=1S/C12H12ClN5OS/c13-7-3-1-6(2-4-7)5-20-12-15-8-9(17-12)16-11(14)18-10(8)19/h1-4,9,12,17H,5H2,(H3,14,16,18,19)