N-cyclohexyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-amine; nitric acid

Systemtic Name: N-cyclohexyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-amine; nitric acid Openeye Name: N-cyclohexyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-amine; nitric acid CAS Name: N-cyclohexyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-2-pyrimidinamine; nitric acid IUPAC Name: N-cyclohexyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-amine; nitric acid Traditional Name: cyclohexyl-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]pyrimidin-2-yl]amine; nitric acid Formula: C30H33Cl2N7O9 MolecularWeight: 706.53052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC=C(C=C3)OCC4COC(O4)(CN5C=CN=C5)C6=C(C=C(C=C6)Cl)Cl.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC=C(C=C3)OC[C@@H]4CO[C@@](O4)(CN5C=CN=C5)C6=C(C=C(C=C6)Cl)Cl.[N+](=O)(O)[O-].[N+](=O)(O)[O-]

InChI

InChI=1S/C30H31Cl2N5O3.2HNO3/c31-22-8-11-26(27(32)16-22)30(19-37-15-14-33-20-37)39-18-25(40-30)17-38-24-9-6-21(7-10-24)28-12-13-34-29(36-28)35-23-4-2-1-3-5-23;2*2-1(3)4/h6-16,20,23,25H,1-5,17-19H2,(H,34,35,36);2*(H,2,3,4)/t25-,30-;;/m1../s1