2-azanyl-1-[(5-phenylthiophen-2-yl)methyl]-7H-purin-6-one

Systemtic Name: 2-azanyl-1-[(5-phenylthiophen-2-yl)methyl]-7H-purin-6-one Openeye Name: 2-amino-1-[(5-phenyl-2-thienyl)methyl]-7H-purin-6-one CAS Name: 2-amino-1-[(5-phenyl-2-thiophenyl)methyl]-7H-purin-6-one IUPAC Name: 2-amino-1-[(5-phenylthiophen-2-yl)methyl]-7H-purin-6-one Traditional Name: 2-amino-1-[(5-phenyl-2-thienyl)methyl]-7H-purin-6-one Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(S2)CN3C(=O)C4=C(N=CN4)N=C3N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(S2)CN3C(=O)C4=C(N=CN4)N=C3N

InChI

InChI=1S/C16H13N5OS/c17-16-20-14-13(18-9-19-14)15(22)21(16)8-11-6-7-12(23-11)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,17,20)(H,18,19)