2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(4-bromanyl-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Openeye Name: 5-benzyloxy-2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one CAS Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethylamino]-5-phenylmethoxy-1H-pyrimidin-6-one Traditional Name: 5-benzoxy-2-[2-[(4-bromo-1H-imidazol-5-yl)methylthio]ethylamino]-1H-pyrimidin-6-one Formula: C17H18BrN5O2S MolecularWeight: 436.32612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CN=C(NC2=O)NCCSCC3=C(N=CN3)Br

InChI

InChI=1S/C17H18BrN5O2S/c18-15-13(21-11-22-15)10-26-7-6-19-17-20-8-14(16(24)23-17)25-9-12-4-2-1-3-5-12/h1-5,8,11H,6-7,9-10H2,(H,21,22)(H2,19,20,23,24)