2-azanyl-5-[azanyl-(2-sulfanylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-5-[azanyl-(2-sulfanylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Openeye Name: 2-amino-5-[amino-(2-sulfanylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one CAS Name: 2-amino-5-[amino-(2-mercaptophenyl)methyl]-4-pyrrolo[2,3-d]pyrimidinone IUPAC Name: 2-amino-5-[amino-(2-sulfanylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Traditional Name: 2-amino-5-[amino-(2-mercaptophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-one Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=C3C(=NC(=NC3=O)N)N=C2)N)S

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=C3C(=NC(=NC3=O)N)N=C2)N)S

InChI

InChI=1S/C13H11N5OS/c14-10(6-3-1-2-4-8(6)20)7-5-16-11-9(7)12(19)18-13(15)17-11/h1-5,10,20H,14H2,(H2,15,18,19)