3-[3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H15N5O2S/c15-11-8-12(20)18-13(17-11)22-7-3-6-19-10-5-2-1-4-9(10)16-14(19)21/h1-2,4-5,8H,3,6-7H2,(H,16,21)(H3,15,17,18,20)