4,5-bis(bromanyl)-2-(pyrimidin-4-ylmethyl)-1H-1,2-diazepin-7-one

Systemtic Name: 4,5-bis(bromanyl)-2-(pyrimidin-4-ylmethyl)-1H-1,2-diazepin-7-one Openeye Name: 4,5-dibromo-2-(pyrimidin-4-ylmethyl)-1H-diazepin-7-one CAS Name: 4,5-dibromo-2-(4-pyrimidinylmethyl)-1H-diazepin-7-one IUPAC Name: 4,5-dibromo-2-(pyrimidin-4-ylmethyl)-1H-diazepin-7-one Traditional Name: 4,5-dibromo-2-(4-pyrimidylmethyl)-1H-diazepin-7-one Formula: C10H8Br2N4O MolecularWeight: 360.00472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CN=C1CN2C=C(C(=CC(=O)N2)Br)Br

Isomeric SMILES

C1=CN=CN=C1CN2C=C(C(=CC(=O)N2)Br)Br

InChI

InChI=1S/C10H8Br2N4O/c11-8-3-10(17)15-16(5-9(8)12)4-7-1-2-13-6-14-7/h1-3,5-6H,4H2,(H,15,17)