4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide

Systemtic Name: 4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3-chloranyl-4-methoxy-phenyl)methyl]-1-(oxolan-2-ylcarbonyl)piperazine-2-carboxamide Openeye Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-[(3-chloro-4-methoxy-phenyl)methyl]-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide CAS Name: 4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-N-[(3-chloro-4-methoxyphenyl)methyl]-1-[oxo(2-oxolanyl)methyl]-2-piperazinecarboxamide IUPAC Name: 4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(oxolane-2-carbonyl)piperazine-2-carboxamide Traditional Name: 4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-(3-chloro-4-methoxy-benzyl)-1-(tetrahydrofuran-2-carbonyl)piperazine-2-carboxamide Formula: C25H27Cl2N7O4 MolecularWeight: 560.43238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CN(CCN2C(=O)C3CCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CN(CCN2C(=O)C3CCCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl)Cl

InChI

InChI=1S/C25H27Cl2N7O4/c1-37-19-5-4-16(11-17(19)26)13-29-23(35)18-14-32(8-9-34(18)24(36)20-3-2-10-38-20)22-12-21(27)30-25(31-22)33-7-6-28-15-33/h4-7,11-12,15,18,20H,2-3,8-10,13-14H2,1H3,(H,29,35)