2-azanyl-1-[(4-chloranylthiophen-2-yl)methyl]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[(4-chloranylthiophen-2-yl)methyl]-7H-purin-6-one Openeye Name: 2-amino-1-[(4-chloro-2-thienyl)methyl]-7H-purin-6-one CAS Name: 2-amino-1-[(4-chloro-2-thiophenyl)methyl]-7H-purin-6-one IUPAC Name: 2-amino-1-[(4-chlorothiophen-2-yl)methyl]-7H-purin-6-one Traditional Name: 2-amino-1-[(4-chloro-2-thienyl)methyl]-7H-purin-6-one Formula: C10H8ClN5OS MolecularWeight: 281.72142

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1Cl)CN2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=C(SC=C1Cl)CN2C(=O)C3=C(N=CN3)N=C2N

InChI

InChI=1S/C10H8ClN5OS/c11-5-1-6(18-3-5)2-16-9(17)7-8(14-4-13-7)15-10(16)12/h1,3-4H,2H2,(H2,12,15)(H,13,14)