6-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine

Systemtic Name: 6-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine Openeye Name: 6-(5-bromo-2-chloro-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine CAS Name: 6-(5-bromo-2-chloro-4-pyrimidinyl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine IUPAC Name: 6-(5-bromo-2-chloropyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine Traditional Name: 6-(5-bromo-2-chloro-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidaz[4,5-d]azepine Formula: C22H22Br2Cl2N10 MolecularWeight: 657.19108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1NC=N2)C3=NC(=NC=C3Br)Cl.C1CN(CCC2=C1NC=N2)C3=NC(=NC=C3Br)Cl

Isomeric SMILES

C1CN(CCC2=C1NC=N2)C3=NC(=NC=C3Br)Cl.C1CN(CCC2=C1NC=N2)C3=NC(=NC=C3Br)Cl

InChI

InChI=1S/2C11H11BrClN5/c2*12-7-5-14-11(13)17-10(7)18-3-1-8-9(2-4-18)16-6-15-8/h2*5-6H,1-4H2,(H,15,16)