6-chloranyl-4-(3-methylbutoxy)-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+)

Systemtic Name: 6-chloranyl-4-(3-methylbutoxy)-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Openeye Name: 6-chloro-4-isopentyloxy-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) CAS Name: 6-chloro-4-(3-methylbutoxy)-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) IUPAC Name: 6-chloro-4-(3-methylbutoxy)-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Traditional Name: 6-chloro-4-isoamoxy-2-phenyl-4H-pyrimidin-3-ide; cyclopenta-1,3-diene; titanium(4+) Formula: C40H46Cl2N4O2Ti MolecularWeight: 733.59184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1C=C(N=C([N-]1)C2=CC=CC=C2)Cl.CC(C)CCOC1C=C(N=C([N-]1)C2=CC=CC=C2)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

Isomeric SMILES

CC(C)CCOC1C=C(N=C([N-]1)C2=CC=CC=C2)Cl.CC(C)CCOC1C=C(N=C([N-]1)C2=CC=CC=C2)Cl.C1C=CC=[C-]1.C1C=CC=[C-]1.[Ti+4]

InChI

InChI=1S/2C15H18ClN2O.2C5H5.Ti/c2*1-11(2)8-9-19-14-10-13(16)17-15(18-14)12-6-4-3-5-7-12;2*1-2-4-5-3-1;/h2*3-7,10-11,14H,8-9H2,1-2H3;2*1-3H,4H2;/q4*-1;+4